Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'nara' and Initial = 'y'   

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))	BDBM50122654 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of arachidonic acid(AA) release from CHO cells in Human				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122652 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of arachidonic acid(AA) release from CHO cells in Human				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122652 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50409694 (CHEMBL2092994) Show SMILES CNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C36H31F2N5O3S/c1-39-35(45)40-25-18-16-24(17-19-25)32-28(21-41(2)20-23-10-5-3-6-11-23)31-33(44)43(26-12-7-4-8-13-26)36(46)42(34(31)47-32)22-27-29(37)14-9-15-30(27)38/h3-19H,20-22H2,1-2H3,(H2,39,40,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122654 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50067485 (3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...) Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122660 (1-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difl...) Show SMILES CC(C)NC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C38H35F2N5O3S/c1-24(2)41-37(47)42-27-19-17-26(18-20-27)34-30(22-43(3)21-25-11-6-4-7-12-25)33-35(46)45(28-13-8-5-9-14-28)38(48)44(36(33)49-34)23-29-31(39)15-10-16-32(29)40/h4-20,24H,21-23H2,1-3H3,(H2,41,42,47)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122667 (1-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difl...) Show SMILES CCONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H33F2N5O4S/c1-3-48-41-36(46)40-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)49-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122659 (CHEMBL20511 | N-{4-[5-[(Benzyl-methyl-amino)-methy...) Show SMILES CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C38H34F2N4O4S/c1-4-33(45)41-26-18-16-25(17-19-26)35-30(22-42(2)21-24-10-6-5-7-11-24)34-36(46)44(27-12-8-13-28(20-27)48-3)38(47)43(37(34)49-35)23-29-31(39)14-9-15-32(29)40/h5-20H,4,21-23H2,1-3H3,(H,41,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122656 (CHEMBL280365 | N-{4-[5-[(Benzyl-methyl-amino)-meth...) Show SMILES COc1cccc(c1)-n1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1 Show InChI InChI=1S/C39H36F2N4O4S/c1-24(2)36(46)42-27-18-16-26(17-19-27)35-31(22-43(3)21-25-10-6-5-7-11-25)34-37(47)45(28-12-8-13-29(20-28)49-4)39(48)44(38(34)50-35)23-30-32(40)14-9-15-33(30)41/h5-20,24H,21-23H2,1-4H3,(H,42,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122652 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to Leutinizing releasing hormone receptor in monkey (ch...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122657 (CHEMBL21126 | N-{4-[5-[(Benzyl-methyl-amino)-methy...) Show SMILES CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H32F2N4O3S/c1-3-32(44)40-26-19-17-25(18-20-26)34-29(22-41(2)21-24-11-6-4-7-12-24)33-35(45)43(27-13-8-5-9-14-27)37(46)42(36(33)47-34)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122671 (1-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difl...) Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NO)cc1)Cc1ccccc1 Show InChI InChI=1S/C35H29F2N5O4S/c1-40(19-22-9-4-2-5-10-22)20-27-30-32(43)42(25-11-6-3-7-12-25)35(45)41(21-26-28(36)13-8-14-29(26)37)33(30)47-31(27)23-15-17-24(18-16-23)38-34(44)39-46/h2-18,46H,19-21H2,1H3,(H2,38,39,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122674 (CHEMBL280213 | N-{4-[5-[(Benzyl-methyl-amino)-meth...) Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C38H34F2N4O3S/c1-24(2)35(45)41-27-19-17-26(18-20-27)34-30(22-42(3)21-25-11-6-4-7-12-25)33-36(46)44(28-13-8-5-9-14-28)38(47)43(37(33)48-34)23-29-31(39)15-10-16-32(29)40/h4-20,24H,21-23H2,1-3H3,(H,41,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122661 (1-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difl...) Show SMILES CC(C)ONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C38H35F2N5O4S/c1-24(2)49-42-37(47)41-27-19-17-26(18-20-27)34-30(22-43(3)21-25-11-6-4-7-12-25)33-35(46)45(28-13-8-5-9-14-28)38(48)44(36(33)50-34)23-29-31(39)15-10-16-32(29)40/h4-20,24H,21-23H2,1-3H3,(H2,41,42,47)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122654 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to LHRH receptor in monkey (chinese hamster ovary (CHO)...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50067485 (3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...) Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of LHRH-stimulated arachidonic acid (AA) release from CHO cells expressing human Leutinizing releasing hormone receptor				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122655 (CHEMBL280212 | 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(=O)c2ccccc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C41H32F2N4O3S/c1-45(24-27-12-5-2-6-13-27)25-33-36-39(49)47(31-16-9-4-10-17-31)41(50)46(26-32-34(42)18-11-19-35(32)43)40(36)51-37(33)28-20-22-30(23-21-28)44-38(48)29-14-7-3-8-15-29/h2-23H,24-26H2,1H3,(H,44,48)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122653 (6-(4-Amino-phenyl)-5-[(benzyl-methyl-amino)-methyl...) Show SMILES COc1cccc(c1)-n1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(N)cc1 Show InChI InChI=1S/C35H30F2N4O3S/c1-39(19-22-8-4-3-5-9-22)20-28-31-33(42)41(25-10-6-11-26(18-25)44-2)35(43)40(21-27-29(36)12-7-13-30(27)37)34(31)45-32(28)23-14-16-24(38)17-15-23/h3-18H,19-21,38H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50067485 (3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...) Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to monkey Leutinizing releasing hormone receptor in clo...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50517589 (CHEMBL4100286) Show SMILES COc1ccc2[C@@H](N(CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc1cc2CCC(C)(C)c2c(F)c1 |r| Show InChI InChI=1S/C26H30FN3O5/c1-26(2)11-9-15-13-16(14-18(27)23(15)26)28-25(34)24-17-7-8-20(35-3)29-19(17)10-12-30(24)21(31)5-4-6-22(32)33/h7-8,13-14,24H,4-6,9-12H2,1-3H3,(H,28,34)(H,32,33)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethyl...				J Med Chem 62: 1167-1179 (2019) Article DOI: 10.1021/acs.jmedchem.8b01181 BindingDB Entry DOI: 10.7270/Q2DF6VMH
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122657 (CHEMBL21126 | N-{4-[5-[(Benzyl-methyl-amino)-methy...) Show SMILES CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H32F2N4O3S/c1-3-32(44)40-26-19-17-25(18-20-26)34-29(22-41(2)21-24-11-6-4-7-12-24)33-35(45)43(27-13-8-5-9-14-27)37(46)42(36(33)47-34)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of arachidonic acid(AA) release from CHO cells in Human				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50517588 (CHEMBL4446140) Show SMILES CCOc1ccccc1CN1CCc2cc(NC(=O)[C@@H]3N(CCc4nc(OC)ccc34)C(=O)CCCC(O)=O)ccc12 |r| Show InChI InChI=1S/C32H36N4O6/c1-3-42-27-8-5-4-7-22(27)20-35-17-15-21-19-23(11-13-26(21)35)33-32(40)31-24-12-14-28(41-2)34-25(24)16-18-36(31)29(37)9-6-10-30(38)39/h4-5,7-8,11-14,19,31H,3,6,9-10,15-18,20H2,1-2H3,(H,33,40)(H,38,39)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethyl...				J Med Chem 62: 1167-1179 (2019) Article DOI: 10.1021/acs.jmedchem.8b01181 BindingDB Entry DOI: 10.7270/Q2DF6VMH
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122652 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of arachidonic acid(AA) release from CHO cells in Monkey				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.S. College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Eur J Med Chem 42: 1159-68 (2007) Article DOI: 10.1016/j.ejmech.2007.01.024 BindingDB Entry DOI: 10.7270/Q27P9255
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50517591 (CHEMBL4448684) Show SMILES CCOc1ccccc1CN1CCc2cc(NC(=O)[C@@H]3N(CCc4nc(OC)ccc34)C(C)=O)ccc12 |r| Show InChI InChI=1S/C29H32N4O4/c1-4-37-26-8-6-5-7-21(26)18-32-15-13-20-17-22(9-11-25(20)32)30-29(35)28-23-10-12-27(36-3)31-24(23)14-16-33(28)19(2)34/h5-12,17,28H,4,13-16,18H2,1-3H3,(H,30,35)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethyl...				J Med Chem 62: 1167-1179 (2019) Article DOI: 10.1021/acs.jmedchem.8b01181 BindingDB Entry DOI: 10.7270/Q2DF6VMH
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122657 (CHEMBL21126 | N-{4-[5-[(Benzyl-methyl-amino)-methy...) Show SMILES CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H32F2N4O3S/c1-3-32(44)40-26-19-17-25(18-20-26)34-29(22-41(2)21-24-11-6-4-7-12-24)33-35(45)43(27-13-8-5-9-14-27)37(46)42(36(33)47-34)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to Leutinizing releasing hormone receptor in monkey (ch...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122654 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of arachidonic acid(AA) release from CHO cells in Monkey				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50517594 (CHEMBL4543504) Show SMILES COc1ccc2C(N(CCc2n1)C(C)=O)C(=O)Nc1ccc2N(Cc3ccccc3OC)CCc2c1 Show InChI InChI=1S/C28H30N4O4/c1-18(33)32-15-13-23-22(9-11-26(30-23)36-3)27(32)28(34)29-21-8-10-24-19(16-21)12-14-31(24)17-20-6-4-5-7-25(20)35-2/h4-11,16,27H,12-15,17H2,1-3H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethyl...				J Med Chem 62: 1167-1179 (2019) Article DOI: 10.1021/acs.jmedchem.8b01181 BindingDB Entry DOI: 10.7270/Q2DF6VMH
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50517593 (CHEMBL4446549) Show SMILES COc1ccccc1COc1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H22N2O5S/c1-28-21-5-3-2-4-18(21)15-29-19-10-8-17(9-11-19)22(25)24-14-16-6-12-20(13-7-16)30(23,26)27/h2-13H,14-15H2,1H3,(H,24,25)(H2,23,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethyl...				J Med Chem 62: 1167-1179 (2019) Article DOI: 10.1021/acs.jmedchem.8b01181 BindingDB Entry DOI: 10.7270/Q2DF6VMH
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122669 (CHEMBL21185 | N-{4-[5-[(Benzyl-methyl-amino)-methy...) Show SMILES CCC(=O)N(C)c1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C39H36F2N4O4S/c1-5-34(46)43(3)27-19-17-26(18-20-27)36-31(23-42(2)22-25-11-7-6-8-12-25)35-37(47)45(28-13-9-14-29(21-28)49-4)39(48)44(38(35)50-36)24-30-32(40)15-10-16-33(30)41/h6-21H,5,22-24H2,1-4H3	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
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122663 (5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...) Show SMILES COc1cccc(c1)-n1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C35H28F2N4O5S/c1-38(19-22-8-4-3-5-9-22)20-28-31-33(42)40(25-10-6-11-26(18-25)46-2)35(43)39(21-27-29(36)12-7-13-30(27)37)34(31)47-32(28)23-14-16-24(17-15-23)41(44)45/h3-18H,19-21H2,1-2H3	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
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50517592 (CHEMBL4464336) Show SMILES COc1ccc2C(N(CCc2n1)C(C)=O)C(=O)Nc1ccc2N(Cc3ccccc3OC(F)(F)F)CCc2c1 Show InChI InChI=1S/C28H27F3N4O4/c1-17(36)35-14-12-22-21(8-10-25(33-22)38-2)26(35)27(37)32-20-7-9-23-18(15-20)11-13-34(23)16-19-5-3-4-6-24(19)39-28(29,30)31/h3-10,15,26H,11-14,16H2,1-2H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethyl...				J Med Chem 62: 1167-1179 (2019) Article DOI: 10.1021/acs.jmedchem.8b01181 BindingDB Entry DOI: 10.7270/Q2DF6VMH
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122658 (5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C36H31F2N3O4S/c1-39(20-23-9-5-4-6-10-23)21-29-32-34(42)41(25-11-7-12-27(19-25)45-3)36(43)40(22-28-30(37)13-8-14-31(28)38)35(32)46-33(29)24-15-17-26(44-2)18-16-24/h4-19H,20-22H2,1-3H3	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
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122670 (5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)cc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C36H31F2N3O4S/c1-39(20-23-8-5-4-6-9-23)21-29-32-34(42)41(25-14-18-27(45-3)19-15-25)36(43)40(22-28-30(37)10-7-11-31(28)38)35(32)46-33(29)24-12-16-26(44-2)17-13-24/h4-19H,20-22H2,1-3H3	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
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50517586 (CHEMBL4562603) Show SMILES COc1ccc2[C@@H](N(CCc2n1)C(C)=O)C(=O)Nc1ccc(OCc2ccccc2OC)cc1 |r| Show InChI InChI=1S/C26H27N3O5/c1-17(30)29-15-14-22-21(12-13-24(28-22)33-3)25(29)26(31)27-19-8-10-20(11-9-19)34-16-18-6-4-5-7-23(18)32-2/h4-13,25H,14-16H2,1-3H3,(H,27,31)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethyl...				J Med Chem 62: 1167-1179 (2019) Article DOI: 10.1021/acs.jmedchem.8b01181 BindingDB Entry DOI: 10.7270/Q2DF6VMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122673 (5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C35H29F2N3O3S/c1-38(20-23-10-5-3-6-11-23)21-28-31-33(41)40(25-12-7-4-8-13-25)35(42)39(22-27-29(36)14-9-15-30(27)37)34(31)44-32(28)24-16-18-26(43-2)19-17-24/h3-19H,20-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50067485 (3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...) Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to Leutinizing releasing hormone receptor in rat anteri...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122666 (5-[(Benzyl-methyl-amino)-methyl]-3-(2-chloro-pheny...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3Cl)c(=O)c2c1CN(C)Cc1ccccc1 |(1.97,-9.34,;2.75,-8.01,;4.28,-8.02,;5.06,-6.69,;6.6,-6.7,;7.35,-8.05,;6.58,-9.36,;5.05,-9.36,;8.89,-8.05,;9.8,-9.31,;11.27,-8.84,;12.58,-9.62,;12.58,-11.15,;11.8,-12.48,;12.56,-13.79,;14.09,-13.81,;11.78,-15.12,;10.22,-15.12,;9.48,-13.77,;10.25,-12.45,;9.5,-11.11,;13.92,-8.85,;14.86,-9.38,;13.93,-7.31,;15.26,-6.55,;15.26,-5.02,;16.61,-4.25,;17.94,-5.05,;17.92,-6.58,;16.58,-7.33,;16.56,-8.87,;12.6,-6.51,;12.6,-4.99,;11.27,-7.3,;9.8,-6.82,;9.34,-5.35,;7.84,-5.02,;6.79,-6.16,;7.37,-3.55,;8.4,-2.41,;9.91,-2.75,;10.95,-1.62,;10.48,-.15,;8.96,.18,;7.94,-.96,)| Show InChI InChI=1S/C35H28ClF2N3O3S/c1-39(19-22-9-4-3-5-10-22)20-26-31-33(42)41(30-14-7-6-11-27(30)36)35(43)40(21-25-28(37)12-8-13-29(25)38)34(31)45-32(26)23-15-17-24(44-2)18-16-23/h3-18H,19-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122665 (5-[(Benzyl-methyl-amino)-methyl]-3-(4-chloro-pheny...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(Cl)cc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C35H28ClF2N3O3S/c1-39(19-22-7-4-3-5-8-22)20-28-31-33(42)41(25-15-13-24(36)14-16-25)35(43)40(21-27-29(37)9-6-10-30(27)38)34(31)45-32(28)23-11-17-26(44-2)18-12-23/h3-18H,19-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50122652 (1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to Leutinizing releasing hormone receptor in rat anteri...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122662 (5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3OC)c(=O)c2c1CN(C)Cc1ccccc1 |(1.97,-9.34,;2.75,-8.01,;4.28,-8.02,;5.05,-9.36,;6.58,-9.36,;7.35,-8.05,;6.6,-6.7,;5.06,-6.69,;8.89,-8.05,;9.8,-9.31,;11.27,-8.84,;12.58,-9.62,;12.58,-11.15,;11.8,-12.48,;12.56,-13.79,;14.09,-13.81,;11.78,-15.12,;10.22,-15.12,;9.48,-13.77,;10.25,-12.45,;9.5,-11.11,;13.92,-8.85,;14.86,-9.38,;13.93,-7.31,;15.26,-6.55,;15.26,-5.02,;16.61,-4.25,;17.94,-5.05,;17.92,-6.58,;16.58,-7.33,;16.57,-8.87,;17.89,-9.66,;12.6,-6.51,;12.6,-4.99,;11.27,-7.3,;9.8,-6.82,;9.34,-5.35,;7.84,-5.02,;6.79,-6.16,;7.37,-3.55,;8.4,-2.41,;7.94,-.96,;8.96,.18,;10.48,-.15,;10.95,-1.62,;9.91,-2.75,)| Show InChI InChI=1S/C36H31F2N3O4S/c1-39(20-23-10-5-4-6-11-23)21-27-32-34(42)41(30-14-7-8-15-31(30)45-3)36(43)40(22-26-28(37)12-9-13-29(26)38)35(32)46-33(27)24-16-18-25(44-2)19-17-24/h4-19H,20-22H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 Show InChI InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,27,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.S. College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase-mediated 3'-end processing activity				Eur J Med Chem 42: 1159-68 (2007) Article DOI: 10.1016/j.ejmech.2007.01.024 BindingDB Entry DOI: 10.7270/Q27P9255
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122672 (5-[(Benzyl-methyl-amino)-methyl]-3-(3-chloro-pheny...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(Cl)c3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C35H28ClF2N3O3S/c1-39(19-22-8-4-3-5-9-22)20-28-31-33(42)41(25-11-6-10-24(36)18-25)35(43)40(21-27-29(37)12-7-13-30(27)38)34(31)45-32(28)23-14-16-26(44-2)17-15-23/h3-18H,19-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50517590 (CHEMBL4454637) Show SMILES COc1ccc2C(N(CCc2n1)C(C)=O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C25H24ClN3O4/c1-16(30)29-14-13-22-20(11-12-23(28-22)32-2)24(29)25(31)27-18-7-9-19(10-8-18)33-15-17-5-3-4-6-21(17)26/h3-12,24H,13-15H2,1-2H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethyl...				J Med Chem 62: 1167-1179 (2019) Article DOI: 10.1021/acs.jmedchem.8b01181 BindingDB Entry DOI: 10.7270/Q2DF6VMH
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122657 (CHEMBL21126 | N-{4-[5-[(Benzyl-methyl-amino)-methy...) Show SMILES CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H32F2N4O3S/c1-3-32(44)40-26-19-17-25(18-20-26)34-29(22-41(2)21-24-11-6-4-7-12-24)33-35(45)43(27-13-8-5-9-14-27)37(46)42(36(33)47-34)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of arachidonic acid(AA) release from CHO cells in Monkey				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122668 (3-Benzyl-5-[(benzyl-methyl-amino)-methyl]-1-(2,6-d...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(Cc3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C36H31F2N3O3S/c1-39(20-24-10-5-3-6-11-24)22-29-32-34(42)40(21-25-12-7-4-8-13-25)36(43)41(23-28-30(37)14-9-15-31(28)38)35(32)45-33(29)26-16-18-27(44-2)19-17-26/h3-19H,20-23H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50459230 (CHEMBL4215472) Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(c1)[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C22H13ClN2O6/c23-16-10-15(11-17(20(16)26)25(29)30)13-7-4-8-14(9-13)18-19(22(27)28)24-31-21(18)12-5-2-1-3-6-12/h1-11,26H,(H,27,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...				J Med Chem 61: 8337-8352 (2018) Article DOI: 10.1021/acs.jmedchem.8b00832 BindingDB Entry DOI: 10.7270/Q2PG1VC9
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122675 (5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(CC(C)C)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C33H33F2N3O3S/c1-21(2)17-37-31(39)29-26(19-36(3)18-22-9-6-5-7-10-22)30(23-13-15-24(41-4)16-14-23)42-32(29)38(33(37)40)20-25-27(34)11-8-12-28(25)35/h5-16,21H,17-20H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50122664 (5-[(Benzyl-methyl-amino)-methyl]-3-cyclohexyl-1-(2...) Show SMILES COc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(C3CCCCC3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C35H35F2N3O3S/c1-38(20-23-10-5-3-6-11-23)21-28-31-33(41)40(25-12-7-4-8-13-25)35(42)39(22-27-29(36)14-9-15-30(27)37)34(31)44-32(28)24-16-18-26(43-2)19-17-24/h3,5-6,9-11,14-19,25H,4,7-8,12-13,20-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
					More data for this Ligand-Target Pair

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