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BDBM50375423 ASOPRISNIL

SMILES: COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC

InChI Key: InChIKey=DZKSHTKHHHLSGZ-HQEMCHEXNA-N

Data: 11 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50375423   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human AR ligand binding domain expressed in african green monkey COS7 cells in presence of 5-alpha-dihydrotestosterone by Gal4...


Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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AffyNet 
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GR ligand binding domain expressed in african green monkey COS7 cells in presence of Dexamethasone by Gal4 hybrid assay


Citation and Details
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB
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SMPDB pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human MR ligand binding domain expressed in african green monkey COS7 cells in presence of aldosterone by Gal4 hybrid assay


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB
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NCI pathway
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PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human ER ligand binding domain expressed in african green monkey COS7 cells in presence of 17-beta-estradiol by Gal4 hybrid as...


Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB

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PubMed
n/an/an/an/a>100n/an/an/an/a



NV Organon

Curated by ChEMBL


Assay Description
Agonist activity at human PRB expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB

KEGG

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PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor in human T47D cells by alkaline phosphatase assay


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB
MMDB

NCI pathway
Reactome pathway
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor by cellular reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor by cellular reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor by cellular reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor by cellular reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor by cellular reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375423
PNG
(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
Show InChI InChI=1/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



NV Organon

Curated by ChEMBL


Assay Description
Antagonist activity at human PRB expressed in CHO cells assessed as inhibition of Org 2058 induced-transactivation


Citation and Details
More data for this
Ligand-Target Pair