BDBM50121471 5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid {4-[(4-amino-5-cyano-pyrimidin-2-ylamino)-methyl]-cyclohexylmethyl}-amide::CHEMBL331087

SMILES: Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ncc(C#N)c(N)n3)CC1)C(C)(C)CCC2(C)C

InChI Key: InChIKey=UMHGZLQKJCBVJI-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 = 50121471   

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))	BDBM50121471 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ncc(C#N)c(N)n3)CC1)C(C)(C)CCC2(C)C |(-1.59,-12.61,;-2.93,-11.9,;-4.29,-12.61,;-5.65,-11.9,;-5.65,-10.47,;-4.31,-9.75,;-2.95,-10.46,;-1.59,-9.74,;-.21,-10.44,;-.23,-11.88,;2.49,-11.9,;2.49,-10.46,;1.13,-9.74,;3.85,-9.74,;3.87,-8.3,;5.21,-10.47,;6.7,-9.58,;8.21,-10.42,;9.7,-9.53,;11.2,-10.36,;11.23,-12.09,;12.74,-12.93,;14.22,-12.04,;15.64,-13.03,;17.19,-12.3,;18.6,-13.28,;18.46,-15.01,;19.88,-15.99,;21.29,-16.98,;16.9,-15.74,;16.74,-17.45,;15.49,-14.76,;9.75,-12.95,;8.25,-12.14,;-7,-9.74,;-8.37,-9.03,;-5.65,-9.02,;-8.36,-10.47,;-8.36,-11.91,;-7,-12.61,;-8.37,-13.32,;-5.65,-13.32,)| Show InChI InChI=1S/C34H44N6O2/c1-21-14-27-28(34(4,5)13-12-33(27,2)3)16-24(21)15-26-10-11-29(42-26)31(41)37-18-22-6-8-23(9-7-22)19-38-32-39-20-25(17-35)30(36)40-32/h10-11,14,16,20,22-23H,6-9,12-13,15,18-19H2,1-5H3,(H,37,41)(H3,36,38,39,40)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	63	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 towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121471 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ncc(C#N)c(N)n3)CC1)C(C)(C)CCC2(C)C |(-1.59,-12.61,;-2.93,-11.9,;-4.29,-12.61,;-5.65,-11.9,;-5.65,-10.47,;-4.31,-9.75,;-2.95,-10.46,;-1.59,-9.74,;-.21,-10.44,;-.23,-11.88,;2.49,-11.9,;2.49,-10.46,;1.13,-9.74,;3.85,-9.74,;3.87,-8.3,;5.21,-10.47,;6.7,-9.58,;8.21,-10.42,;9.7,-9.53,;11.2,-10.36,;11.23,-12.09,;12.74,-12.93,;14.22,-12.04,;15.64,-13.03,;17.19,-12.3,;18.6,-13.28,;18.46,-15.01,;19.88,-15.99,;21.29,-16.98,;16.9,-15.74,;16.74,-17.45,;15.49,-14.76,;9.75,-12.95,;8.25,-12.14,;-7,-9.74,;-8.37,-9.03,;-5.65,-9.02,;-8.36,-10.47,;-8.36,-11.91,;-7,-12.61,;-8.37,-13.32,;-5.65,-13.32,)| Show InChI InChI=1S/C34H44N6O2/c1-21-14-27-28(34(4,5)13-12-33(27,2)3)16-24(21)15-26-10-11-29(42-26)31(41)37-18-22-6-8-23(9-7-22)19-38-32-39-20-25(17-35)30(36)40-32/h10-11,14,16,20,22-23H,6-9,12-13,15,18-19H2,1-5H3,(H,37,41)(H3,36,38,39,40)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.49E+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 In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair