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)	Ligand	Target/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	pH	Temp °C
Retinoic Acid Receptor, gamma (Homo sapiens (Human))	BDBM31886 (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 KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	7.9	4
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) Article DOI: 10.1006/jmbi.2000.4032 BindingDB Entry DOI: 10.7270/Q2BR8QHR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic Acid Receptor, alpha (Homo sapiens (Human))	BDBM31886 (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 KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	118	n/a	n/a	n/a	7.9	4
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) Article DOI: 10.1006/jmbi.2000.4032 BindingDB Entry DOI: 10.7270/Q2BR8QHR
					More data for this Ligand-Target Pair
Retinoic Acid Receptor, beta (Homo sapiens (Human))	BDBM31886 (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 KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	7.9	4
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) Article DOI: 10.1006/jmbi.2000.4032 BindingDB Entry DOI: 10.7270/Q2BR8QHR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM31886 (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 AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 59: 2579-95 (2016) BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM31886 (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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm9502293 BindingDB Entry DOI: 10.7270/Q2MS3RVK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoid receptor (Homo sapiens (Human))	BDBM31886 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm9502293 BindingDB Entry DOI: 10.7270/Q2MS3RVK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome CYP26A1 (Homo sapiens (Human))	BDBM31886 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 59: 2579-95 (2016) BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM31886 (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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	118	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm9502293 BindingDB Entry DOI: 10.7270/Q2MS3RVK
					More data for this Ligand-Target Pair