BDBM50121089 5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid {4-[(2,2,2-trifluoro-acetylamino)-methyl]-cyclohexylmethyl}-amide::CHEMBL332923

SMILES: Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNC(=O)C(F)(F)F)CC1)C(C)(C)CCC2(C)C

InChI Key: InChIKey=ZJWDXQCLOHFJQI-UHFFFAOYSA-N

Data: 2 KI

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 = 50121089   

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
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121089 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNC(=O)C(F)(F)F)CC1)C(C)(C)CCC2(C)C |(4.72,-8.31,;3.37,-7.54,;2.04,-8.29,;.71,-7.54,;.71,-6,;2.04,-5.23,;3.37,-6,;4.72,-5.23,;4.72,-3.69,;5.88,-2.64,;5.26,-1.26,;3.72,-1.41,;3.39,-2.92,;2.71,-.24,;1.2,-.54,;3.2,1.21,;2.19,2.37,;.68,2.07,;-.33,3.24,;-1.84,2.96,;-2.33,1.49,;-3.85,1.17,;-4.87,2.33,;-4.38,3.77,;-2.89,4.08,;-5.41,4.94,;-6.42,6.08,;-6.55,3.91,;-4.25,5.94,;-1.33,.32,;.17,.62,;-.62,-5.23,;-1.96,-4.46,;.71,-4.46,;-1.96,-6,;-1.96,-7.54,;-.62,-8.29,;.47,-9.39,;-2.12,-8.71,)| Show InChI InChI=1S/C31H41F3N2O3/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(39-23)27(37)35-17-20-6-8-21(9-7-20)18-36-28(38)31(32,33)34/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,35,37)(H,36,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity to human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3467-70 (2002) BindingDB Entry DOI: 10.7270/Q20K27X7
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121089 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNC(=O)C(F)(F)F)CC1)C(C)(C)CCC2(C)C |(4.72,-8.31,;3.37,-7.54,;2.04,-8.29,;.71,-7.54,;.71,-6,;2.04,-5.23,;3.37,-6,;4.72,-5.23,;4.72,-3.69,;5.88,-2.64,;5.26,-1.26,;3.72,-1.41,;3.39,-2.92,;2.71,-.24,;1.2,-.54,;3.2,1.21,;2.19,2.37,;.68,2.07,;-.33,3.24,;-1.84,2.96,;-2.33,1.49,;-3.85,1.17,;-4.87,2.33,;-4.38,3.77,;-2.89,4.08,;-5.41,4.94,;-6.42,6.08,;-6.55,3.91,;-4.25,5.94,;-1.33,.32,;.17,.62,;-.62,-5.23,;-1.96,-4.46,;.71,-4.46,;-1.96,-6,;-1.96,-7.54,;-.62,-8.29,;.47,-9.39,;-2.12,-8.71,)| Show InChI InChI=1S/C31H41F3N2O3/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(39-23)27(37)35-17-20-6-8-21(9-7-20)18-36-28(38)31(32,33)34/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,35,37)(H,36,38)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3467-70 (2002) BindingDB Entry DOI: 10.7270/Q20K27X7
					More data for this Ligand-Target Pair