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PDB code 4APU

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Progesterone receptor

  (256/256 = 100%)
(Homo sapiens (Human))
BDBM50375437
PNG
(CHEMBL409661)
Show SMILES C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@@H](C=C)[C@@H]2C(=O)C1CC1)c1ccc(cc1)-c1cccnc1 |c:4,10|
Show InChI InChI=1S/C35H37NO2/c1-3-21-18-31-29-14-12-25-17-27(37)13-15-28(25)32(29)30(19-35(31,2)33(21)34(38)24-10-11-24)23-8-6-22(7-9-23)26-5-4-16-36-20-26/h3-9,16-17,20-21,24,29-31,33H,1,10-15,18-19H2,2H3/t21-,29+,30-,31+,33-,35+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 0.610n/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
3D
3D Structure (crystal)
Progesterone receptor

  (256/256 = 100%)
(Homo sapiens (Human))
BDBM50375437
PNG
(CHEMBL409661)
Show SMILES C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@@H](C=C)[C@@H]2C(=O)C1CC1)c1ccc(cc1)-c1cccnc1 |c:4,10|
Show InChI InChI=1S/C35H37NO2/c1-3-21-18-31-29-14-12-25-17-27(37)13-15-28(25)32(29)30(19-35(31,2)33(21)34(38)24-10-11-24)23-8-6-22(7-9-23)26-5-4-16-36-20-26/h3-9,16-17,20-21,24,29-31,33H,1,10-15,18-19H2,2H3/t21-,29+,30-,31+,33-,35+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 0.660n/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
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output