BDBM50218493 4-(2-isobutyrylamino-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::CHEMBL237555

SMILES: CC(C)C(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C

InChI Key: InChIKey=FBPHPUGONBJSQS-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 = 50218493   

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))	BDBM50218493 (4-(2-isobutyrylamino-5,7,7,10,10-pentamethyl-7,8,9...) Show SMILES CC(C)C(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19| Show InChI InChI=1S/C33H37N3O3/c1-19(2)30(37)34-22-12-13-27-26(16-22)35-29(20-8-10-21(11-9-20)31(38)39)23-17-24-25(18-28(23)36(27)7)33(5,6)15-14-32(24,3)4/h8-13,16-19H,14-15H2,1-7H3,(H,34,37)(H,38,39)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation				Bioorg Med Chem Lett 17: 4808-11 (2007) Article DOI: 10.1016/j.bmcl.2007.06.079 BindingDB Entry DOI: 10.7270/Q2V40TWB
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50218493 (4-(2-isobutyrylamino-5,7,7,10,10-pentamethyl-7,8,9...) Show SMILES CC(C)C(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19| Show InChI InChI=1S/C33H37N3O3/c1-19(2)30(37)34-22-12-13-27-26(16-22)35-29(20-8-10-21(11-9-20)31(38)39)23-17-24-25(18-28(23)36(27)7)33(5,6)15-14-32(24,3)4/h8-13,16-19H,14-15H2,1-7H3,(H,34,37)(H,38,39)	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation				Bioorg Med Chem Lett 17: 4808-11 (2007) Article DOI: 10.1016/j.bmcl.2007.06.079 BindingDB Entry DOI: 10.7270/Q2V40TWB
					More data for this Ligand-Target Pair