BDBM50218425 4-[2-(4-methoxy-phenylmethanesulfonyl)-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl]-benzoic acid::CHEMBL436628

SMILES: COc1ccc(CS(=O)(=O)c2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1

InChI Key: InChIKey=JGRVEJNVSVJOBD-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50218425   

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 RXR-alpha (Homo sapiens (Human))	BDBM50218425 (4-[2-(4-methoxy-phenylmethanesulfonyl)-5,7,7,10,10...) Show SMILES COc1ccc(CS(=O)(=O)c2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:23| Show InChI InChI=1S/C37H38N2O5S/c1-36(2)17-18-37(3,4)30-21-33-28(20-29(30)36)34(24-9-11-25(12-10-24)35(40)41)38-31-19-27(15-16-32(31)39(33)5)45(42,43)22-23-7-13-26(44-6)14-8-23/h7-16,19-21H,17-18,22H2,1-6H3,(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation				Bioorg Med Chem Lett 17: 4804-7 (2007) Article DOI: 10.1016/j.bmcl.2007.06.080 BindingDB Entry DOI: 10.7270/Q2ZS2W7W
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50218425 (4-[2-(4-methoxy-phenylmethanesulfonyl)-5,7,7,10,10...) Show SMILES COc1ccc(CS(=O)(=O)c2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:23| Show InChI InChI=1S/C37H38N2O5S/c1-36(2)17-18-37(3,4)30-21-33-28(20-29(30)36)34(24-9-11-25(12-10-24)35(40)41)38-31-19-27(15-16-32(31)39(33)5)45(42,43)22-23-7-13-26(44-6)14-8-23/h7-16,19-21H,17-18,22H2,1-6H3,(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of LG100268-induced RXRalpha transactivation				Bioorg Med Chem Lett 17: 4804-7 (2007) Article DOI: 10.1016/j.bmcl.2007.06.080 BindingDB Entry DOI: 10.7270/Q2ZS2W7W
					More data for this Ligand-Target Pair