Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50133848'   

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 (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 13: 3617-22 (2003) BindingDB Entry DOI: 10.7270/Q24X576N
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR N27A mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR D302A mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR D302N mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR Y290L mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR H306A mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR Q208E mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR H306E mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR F309L mutant expressed in COS-7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR L300A mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR F309Q mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR Y284L mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR M24I mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133848 (1-(2,6-Difluoro-benzyl)-5-[(methyl-phenethyl-amino...) Show SMILES CN(CCc1ccccc1)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O4S/c1-38(20-19-23-9-4-2-5-10-23)21-28-31-33(42)40(25-11-6-3-7-12-25)35(43)39(22-27-29(36)13-8-14-30(27)37)34(31)46-32(28)24-15-17-26(18-16-24)41(44)45/h2-18H,19-22H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [His5, D-Tyr6]GnRH from GnRHR F313L mutant expressed in COS7 cells				J Med Chem 49: 6170-6 (2006) Article DOI: 10.1021/jm060580w BindingDB Entry DOI: 10.7270/Q20V8CFN
					More data for this Ligand-Target Pair