BDBM50218472 4-{5-ethyl-2-[2-(4-fluoro-phenyl)-acetylamino]-7,7,10,10-tetramethyl-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl}-benzoic acid::CHEMBL237800

SMILES: CCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C

InChI Key: InChIKey=LYCNMFMZQGELCV-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 = 50218472   

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))	BDBM50218472 (4-{5-ethyl-2-[2-(4-fluoro-phenyl)-acetylamino]-7,7...) Show SMILES CCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22| Show InChI InChI=1S/C38H38FN3O3/c1-6-42-32-16-15-27(40-34(43)19-23-7-13-26(39)14-8-23)20-31(32)41-35(24-9-11-25(12-10-24)36(44)45)28-21-29-30(22-33(28)42)38(4,5)18-17-37(29,2)3/h7-16,20-22H,6,17-19H2,1-5H3,(H,40,43)(H,44,45)	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 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))	BDBM50218472 (4-{5-ethyl-2-[2-(4-fluoro-phenyl)-acetylamino]-7,7...) Show SMILES CCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:22| Show InChI InChI=1S/C38H38FN3O3/c1-6-42-32-16-15-27(40-34(43)19-23-7-13-26(39)14-8-23)20-31(32)41-35(24-9-11-25(12-10-24)36(44)45)28-21-29-30(22-33(28)42)38(4,5)18-17-37(29,2)3/h7-16,20-22H,6,17-19H2,1-5H3,(H,40,43)(H,44,45)	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	1.20E+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