null

SMILES: CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1

InChI Key: InChIKey=POAHYXZXLSZBDG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50196040   

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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	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 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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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 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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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 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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+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 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))	BDBM50196040 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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