null

SMILES: CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1

InChI Key: InChIKey=WWFGVTCZQZISDD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50133849   

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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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 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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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 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
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	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 [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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+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 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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+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 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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	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 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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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))	BDBM50133849 (CHEMBL332355 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1 Show InChI InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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