BDBM50218484 4-{2-[(adamantane-1-carbonyl)-amino]-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::CHEMBL394721

SMILES: CN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C

InChI Key: InChIKey=NZZKAWXHZHZEFK-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 = 50218484   

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))	BDBM50218484 (4-{2-[(adamantane-1-carbonyl)-amino]-5,7,7,10,10-p...) Show SMILES CN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25,TLB:18:9:16:12.13.14,7:9:16:12.13.14,THB:18:13:10.9.17:16,14:13:10:17.15.16,14:15:10:12.18.13| Show InChI InChI=1S/C40H45N3O3/c1-38(2)12-13-39(3,4)31-19-34-29(18-30(31)38)35(26-6-8-27(9-7-26)36(44)45)42-32-17-28(10-11-33(32)43(34)5)41-37(46)40-20-23-14-24(21-40)16-25(15-23)22-40/h6-11,17-19,23-25H,12-16,20-22H2,1-5H3,(H,41,46)(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	7.20E+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
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50218484 (4-{2-[(adamantane-1-carbonyl)-amino]-5,7,7,10,10-p...) Show SMILES CN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25,TLB:18:9:16:12.13.14,7:9:16:12.13.14,THB:18:13:10.9.17:16,14:13:10:17.15.16,14:15:10:12.18.13| Show InChI InChI=1S/C40H45N3O3/c1-38(2)12-13-39(3,4)31-19-34-29(18-30(31)38)35(26-6-8-27(9-7-26)36(44)45)42-32-17-28(10-11-33(32)43(34)5)41-37(46)40-20-23-14-24(21-40)16-25(15-23)22-40/h6-11,17-19,23-25H,12-16,20-22H2,1-5H3,(H,41,46)(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	2.90E+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