BDBM50121081 5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid (4-carbamoyl-cyclohexylmethyl)-amide::CHEMBL117863

SMILES: Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@@H](CC1)C(N)=O)C(C)(C)CCC2(C)C

InChI Key: InChIKey=KUOVHUVLNIQKRN-MXVIHJGJSA-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 = 50121081   

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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50121081 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@@H](CC1)C(N)=O)C(C)(C)CCC2(C)C |wU:20.25,wD:17.18,(9.62,-7.31,;8.27,-6.52,;6.94,-7.29,;5.61,-6.52,;5.61,-4.98,;6.94,-4.21,;8.27,-4.98,;9.62,-4.21,;9.62,-2.67,;10.78,-1.63,;10.16,-.24,;8.62,-.4,;8.29,-1.9,;7.61,.77,;6.1,.47,;8.1,2.22,;7.09,3.38,;5.58,3.08,;4.56,4.25,;3.06,3.96,;2.57,2.49,;3.57,1.33,;5.07,1.63,;1.05,2.19,;.03,3.33,;.56,.72,;4.28,-4.21,;5.61,-3.44,;2.94,-3.44,;2.94,-4.98,;2.94,-6.52,;4.28,-7.29,;5.37,-8.38,;2.78,-7.7,)| Show InChI InChI=1S/C29H40N2O3/c1-18-14-23-24(29(4,5)13-12-28(23,2)3)16-21(18)15-22-10-11-25(34-22)27(33)31-17-19-6-8-20(9-7-19)26(30)32/h10-11,14,16,19-20H,6-9,12-13,15,17H2,1-5H3,(H2,30,32)(H,31,33)/t19-,20-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	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)	BDBM50121081 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@@H](CC1)C(N)=O)C(C)(C)CCC2(C)C |wU:20.25,wD:17.18,(9.62,-7.31,;8.27,-6.52,;6.94,-7.29,;5.61,-6.52,;5.61,-4.98,;6.94,-4.21,;8.27,-4.98,;9.62,-4.21,;9.62,-2.67,;10.78,-1.63,;10.16,-.24,;8.62,-.4,;8.29,-1.9,;7.61,.77,;6.1,.47,;8.1,2.22,;7.09,3.38,;5.58,3.08,;4.56,4.25,;3.06,3.96,;2.57,2.49,;3.57,1.33,;5.07,1.63,;1.05,2.19,;.03,3.33,;.56,.72,;4.28,-4.21,;5.61,-3.44,;2.94,-3.44,;2.94,-4.98,;2.94,-6.52,;4.28,-7.29,;5.37,-8.38,;2.78,-7.7,)| Show InChI InChI=1S/C29H40N2O3/c1-18-14-23-24(29(4,5)13-12-28(23,2)3)16-21(18)15-22-10-11-25(34-22)27(33)31-17-19-6-8-20(9-7-19)26(30)32/h10-11,14,16,19-20H,6-9,12-13,15,17H2,1-5H3,(H2,30,32)(H,31,33)/t19-,20-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	270	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