BDBM50218451 4-[2-(4-methoxy-phenylsulfanyl)-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::CHEMBL395563

SMILES: COc1ccc(Sc2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1

InChI Key: InChIKey=DLXPFXIVZQNFHJ-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 = 50218451   

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))	BDBM50218451 (4-[2-(4-methoxy-phenylsulfanyl)-5,7,7,10,10-pentam...) Show SMILES COc1ccc(Sc2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:20| Show InChI InChI=1S/C36H36N2O3S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(22-7-9-23(10-8-22)34(39)40)37-30-19-26(15-16-31(30)38(32)5)42-25-13-11-24(41-6)12-14-25/h7-16,19-21H,17-18H2,1-6H3,(H,39,40)	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	720	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))	BDBM50218451 (4-[2-(4-methoxy-phenylsulfanyl)-5,7,7,10,10-pentam...) Show SMILES COc1ccc(Sc2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:20| Show InChI InChI=1S/C36H36N2O3S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(22-7-9-23(10-8-22)34(39)40)37-30-19-26(15-16-31(30)38(32)5)42-25-13-11-24(41-6)12-14-25/h7-16,19-21H,17-18H2,1-6H3,(H,39,40)	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	1.60E+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