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BDBM31889 BMS 961::BMS270394::BMS961

SMILES: CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O

InChI Key: InChIKey=AANFHDFOMFRLLR-LJQANCHMSA-N

Data: 1 KI  1 Kd  2 Other

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 31889   
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
Retinoic Acid Receptor, gamma


(Homo sapiens (Human))
BDBM31889
PNG
(BMS 961 | BMS270394 | BMS961)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1
PDB
MMDB

SMPDB pathway
KEGG

B.MOAD
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DrugBank
MMDB
PC cid
PC sid
PDB
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AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
1.5 -11.2n/an/an/an/an/a8.04



Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC)



Assay Description
Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...


Chem Biol 6: 519-29 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic Acid Receptor, beta


(Homo sapiens (Human))
BDBM31889
PNG
(BMS 961 | BMS270394 | BMS961)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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AffyNet 
Article
PubMed
n/an/an/an/an/an/an/a7.94



CNRS



Assay Description
Recombinant RAR protein expressed in E. coli was used in the direct binding assay. The apparent dissociation constants (Kd) were determined by the ch...


J Mol Biol 302: 155-70 (2000)

More data for this
Ligand-Target Pair
Retinoic Acid Receptor, gamma


(Homo sapiens (Human))
BDBM31889
PNG
(BMS 961 | BMS270394 | BMS961)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1
PDB
MMDB

SMPDB pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/an/a 528n/an/an/a7.94



CNRS



Assay Description
Recombinant RAR protein expressed in E. coli was used in the direct binding assay. The apparent dissociation constants (Kd) were determined by the ch...


J Mol Biol 302: 155-70 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic Acid Receptor, alpha


(Homo sapiens (Human))
BDBM31889
PNG
(BMS 961 | BMS270394 | BMS961)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1
PDB
MMDB

SMPDB pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/an/an/an/a7.94



CNRS



Assay Description
Recombinant RAR protein expressed in E. coli was used in the direct binding assay. The apparent dissociation constants (Kd) were determined by the ch...


J Mol Biol 302: 155-70 (2000)

More data for this
Ligand-Target Pair