Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50213674'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50213674 ((S)-cyclopentyl(2-(3,5-dimethylphenyl)-3-(1-(2-(py...) Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1CCCC1 Show InChI InChI=1S/C31H40N4O/c1-21-16-22(2)18-26(17-21)30-29(23(3)19-33-14-10-24-8-12-32-13-9-24)27-20-35(15-11-28(27)34-30)31(36)25-6-4-5-7-25/h8-9,12-13,16-18,23,25,33-34H,4-7,10-11,14-15,19-20H2,1-3H3/t23-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR				Bioorg Med Chem Lett 17: 3845-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.009 BindingDB Entry DOI: 10.7270/Q2JD4WHQ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50213674 ((S)-cyclopentyl(2-(3,5-dimethylphenyl)-3-(1-(2-(py...) Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1CCCC1 Show InChI InChI=1S/C31H40N4O/c1-21-16-22(2)18-26(17-21)30-29(23(3)19-33-14-10-24-8-12-32-13-9-24)27-20-35(15-11-28(27)34-30)31(36)25-6-4-5-7-25/h8-9,12-13,16-18,23,25,33-34H,4-7,10-11,14-15,19-20H2,1-3H3/t23-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of GnRHR in rat pituitary cells assessed as inhibition of GnRH-stimulated LH release				Bioorg Med Chem Lett 17: 3845-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.009 BindingDB Entry DOI: 10.7270/Q2JD4WHQ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50213674 ((S)-cyclopentyl(2-(3,5-dimethylphenyl)-3-(1-(2-(py...) Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1CCCC1 Show InChI InChI=1S/C31H40N4O/c1-21-16-22(2)18-26(17-21)30-29(23(3)19-33-14-10-24-8-12-32-13-9-24)27-20-35(15-11-28(27)34-30)31(36)25-6-4-5-7-25/h8-9,12-13,16-18,23,25,33-34H,4-7,10-11,14-15,19-20H2,1-3H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human GnRHR expressed in RBL cells assessed as inhibition of GnRH-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 17: 3845-50 (2007) Article DOI: 10.1016/j.bmcl.2007.05.009 BindingDB Entry DOI: 10.7270/Q2JD4WHQ
					More data for this Ligand-Target Pair