BDBM50121103 5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid (4-cyano-cyclohexylmethyl)-amide::CHEMBL117170

SMILES: Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CC1)C#N)C(C)(C)CCC2(C)C

InChI Key: InChIKey=IZRHUCNGDZLGAW-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 = 50121103   

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))	BDBM50121103 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CC1)C#N)C(C)(C)CCC2(C)C |(17.2,-15.94,;15.87,-15.15,;14.52,-15.92,;13.19,-15.15,;13.19,-13.61,;14.52,-12.84,;15.87,-13.61,;17.2,-12.84,;17.23,-11.3,;18.37,-10.25,;17.74,-8.87,;16.22,-9.01,;15.9,-10.53,;15.2,-7.85,;13.68,-8.15,;15.69,-6.4,;14.68,-5.25,;13.17,-5.54,;12.16,-4.37,;10.65,-4.67,;10.16,-6.14,;11.16,-7.29,;12.68,-7,;8.64,-6.45,;7.12,-6.75,;11.86,-12.84,;10.53,-12.07,;13.21,-12.07,;10.53,-13.61,;10.53,-15.15,;11.86,-15.92,;12.96,-17.01,;10.37,-16.32,)| Show InChI InChI=1S/C29H38N2O2/c1-19-14-24-25(29(4,5)13-12-28(24,2)3)16-22(19)15-23-10-11-26(33-23)27(32)31-18-21-8-6-20(17-30)7-9-21/h10-11,14,16,20-21H,6-9,12-13,15,18H2,1-5H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	17	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)	BDBM50121103 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CC1)C#N)C(C)(C)CCC2(C)C |(17.2,-15.94,;15.87,-15.15,;14.52,-15.92,;13.19,-15.15,;13.19,-13.61,;14.52,-12.84,;15.87,-13.61,;17.2,-12.84,;17.23,-11.3,;18.37,-10.25,;17.74,-8.87,;16.22,-9.01,;15.9,-10.53,;15.2,-7.85,;13.68,-8.15,;15.69,-6.4,;14.68,-5.25,;13.17,-5.54,;12.16,-4.37,;10.65,-4.67,;10.16,-6.14,;11.16,-7.29,;12.68,-7,;8.64,-6.45,;7.12,-6.75,;11.86,-12.84,;10.53,-12.07,;13.21,-12.07,;10.53,-13.61,;10.53,-15.15,;11.86,-15.92,;12.96,-17.01,;10.37,-16.32,)| Show InChI InChI=1S/C29H38N2O2/c1-19-14-24-25(29(4,5)13-12-28(24,2)3)16-22(19)15-23-10-11-26(33-23)27(32)31-18-21-8-6-20(17-30)7-9-21/h10-11,14,16,20-21H,6-9,12-13,15,18H2,1-5H3,(H,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	560	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