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BDBM31886 CD564::CHEMBL309282

SMILES: CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O

InChI Key: InChIKey=RWYREGSYPCNZTL-UHFFFAOYSA-N

Data: 2 IC50  6 Kd

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 8 hits for monomerid = 31886   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
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Article
PubMed
n/an/an/a 3n/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))
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
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KEGG

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Article
PubMed
n/an/an/a 118n/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, beta


(Homo sapiens (Human))
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
PDB
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Article
PubMed
n/an/an/a 1.20n/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)
Cytochrome P450 26B1


(Homo sapiens)
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
UniProtKB/SwissProt

GoogleScholar
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PubMed
n/an/a 520n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


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


(Homo sapiens)
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
PDB
MMDB

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Article
PubMed
n/an/an/a 3n/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-4 transactivation assay


J Med Chem 39: 2411-21 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens)
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
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MMDB
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Article
PubMed
n/an/an/a 1.20n/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Apparent binding constant for Retinoic acid receptor beta in HeLa cellGAL-4 transactivation assay


J Med Chem 39: 2411-21 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
Reactome pathway
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PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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UniChem

Patents


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Article
PubMed
n/an/an/a 118n/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Apparent binding constant against Retinoic acid receptor alpha in HeLa cell GAl-4 transactivation assay


J Med Chem 39: 2411-21 (1996)

More data for this
Ligand-Target Pair