BDBM50218436 4-(2-cyano-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::CHEMBL244621

SMILES: CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N

InChI Key: InChIKey=TXTLKECAXTYXJV-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 = 50218436   

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))	BDBM50218436 (4-(2-cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrah...) Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:9| Show InChI InChI=1S/C30H29N3O2/c1-29(2)12-13-30(3,4)23-16-26-21(15-22(23)29)27(19-7-9-20(10-8-19)28(34)35)32-24-14-18(17-31)6-11-25(24)33(26)5/h6-11,14-16H,12-13H2,1-5H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	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))	BDBM50218436 (4-(2-cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrah...) Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N |t:9| Show InChI InChI=1S/C30H29N3O2/c1-29(2)12-13-30(3,4)23-16-26-21(15-22(23)29)27(19-7-9-20(10-8-19)28(34)35)32-24-14-18(17-31)6-11-25(24)33(26)5/h6-11,14-16H,12-13H2,1-5H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	820	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