Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50011277   

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))	BDBM50104550 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:32.31:34.35,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-28-9-14-34(43)41(6)22-28)32-20-30(10-13-33(32)40-36)38(4,5)37(44)42-23-27-7-11-31(42)12-8-27/h9-10,13-14,17-20,22,26-27,31,39-40H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,27?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104554 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc(=O)[nH]c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:25:27:31.30:33.34,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-2.82,4.08,;-3.63,2.98,;-3.63,.82,;-5.08,.2,;-4.43,1.7,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,)| Show InChI InChI=1S/C37H46N4O2/c1-23-16-24(2)18-28(17-23)35-34(25(3)20-38-15-14-26-8-13-33(42)39-21-26)31-19-29(9-12-32(31)40-35)37(4,5)36(43)41-22-27-6-10-30(41)11-7-27/h8-9,12-13,16-19,21,25,27,30,38,40H,6-7,10-11,14-15,20,22H2,1-5H3,(H,39,42)/t25-,27?,30?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104551 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCC1CCC(=O)N(C)C1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:32.31:34.35,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C38H52N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-28-9-14-34(43)41(6)22-28)32-20-30(10-13-33(32)40-36)38(4,5)37(44)42-23-27-7-11-31(42)12-8-27/h10,13,17-20,26-28,31,39-40H,7-9,11-12,14-16,21-23H2,1-6H3/t26-,27?,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104564 (1-(1S,4R)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@@H]2CC[C@H]1C2)-c1cc(C)cc(C)c1 |TLB:26:28:34:32.31| Show InChI InChI=1S/C38H48N4O/c1-25-18-26(2)20-30(19-25)36-35(27(3)23-40-15-7-6-8-28-13-16-39-17-14-28)33-22-31(10-12-34(33)41-36)38(4,5)37(43)42-24-29-9-11-32(42)21-29/h10,12-14,16-20,22,27,29,32,40-41H,6-9,11,15,21,23-24H2,1-5H3/t27-,29-,32+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104549 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES COCn1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccc1=O |wD:10.10,TLB:24:26:30.29:32.33,(18.23,-1.38,;17.46,-.05,;15.92,-.03,;15.17,1.3,;13.63,1.31,;12.86,2.65,;11.32,2.65,;10.55,1.32,;9.01,1.33,;8.24,,;6.7,.02,;5.93,1.35,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,)| Show InChI InChI=1S/C39H50N4O3/c1-25-17-26(2)19-30(18-25)37-36(27(3)21-40-16-15-29-9-14-35(44)42(22-29)24-46-6)33-20-31(10-13-34(33)41-37)39(4,5)38(45)43-23-28-7-11-32(43)12-8-28/h9-10,13-14,17-20,22,27-28,32,40-41H,7-8,11-12,15-16,21,23-24H2,1-6H3/t27-,28?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104552 ((S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-d...) Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |r,wD:1.0,TLB:24:26:29.30:33.32,(25.26,-8.15,;26.29,-9.29,;27.8,-8.96,;28.26,-7.49,;29.77,-7.16,;30.24,-5.69,;31.74,-5.37,;32.77,-6.5,;34.27,-6.18,;34.74,-4.71,;33.7,-3.57,;32.2,-3.9,;25.83,-10.75,;26.74,-12,;25.84,-13.25,;24.37,-12.78,;23.03,-13.56,;21.7,-12.79,;21.7,-11.25,;23.03,-10.48,;24.36,-11.24,;20.36,-10.48,;21.13,-9.14,;19.6,-11.81,;19.02,-9.71,;19.02,-8.17,;17.69,-10.48,;16.41,-9.46,;14.8,-9.85,;13.82,-8.69,;14.04,-10.08,;15.23,-11.49,;14.85,-12.73,;14.16,-11.3,;28.28,-11.99,;29.03,-10.65,;30.57,-10.64,;31.33,-9.3,;31.36,-11.97,;30.59,-13.31,;31.37,-14.64,;29.05,-13.32,)| Show InChI InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104540 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1cc(C)c(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:27:29:33.32:35.36,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,5.31,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,)| Show InChI InChI=1S/C39H50N4O2/c1-24-16-25(2)18-30(17-24)36-35(27(4)21-40-15-14-29-19-26(3)37(44)42(7)22-29)33-20-31(10-13-34(33)41-36)39(5,6)38(45)43-23-28-8-11-32(43)12-9-28/h10,13,16-20,22,27-28,32,40-41H,8-9,11-12,14-15,21,23H2,1-7H3/t27-,28?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104546 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H50N4O3/c1-27-22-28(2)24-31(23-27)36-35(29(3)26-41-15-7-6-8-30-11-16-40-17-12-30)33-25-32(9-10-34(33)42-36)38(4,5)37(44)43-18-13-39(14-19-43)45-20-21-46-39/h9-12,16-17,22-25,29,41-42H,6-8,13-15,18-21,26H2,1-5H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104542 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCc1cccnc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:24:26:30.29:32.33,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;15.17,1.3,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C37H46N4O/c1-24-17-25(2)19-29(18-24)35-34(26(3)21-39-16-14-27-7-6-15-38-22-27)32-20-30(10-13-33(32)40-35)37(4,5)36(42)41-23-28-8-11-31(41)12-9-28/h6-7,10,13,15,17-20,22,26,28,31,39-40H,8-9,11-12,14,16,21,23H2,1-5H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104558 (1-(3,3-Dimethyl-azetidin-1-yl)-2-{2-(3,5-dimethyl-...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC(C)(C)C1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C37H48N4O/c1-25-18-26(2)20-29(19-25)34-33(27(3)22-39-15-9-8-10-28-13-16-38-17-14-28)31-21-30(11-12-32(31)40-34)37(6,7)35(42)41-23-36(4,5)24-41/h11-14,16-21,27,39-40H,8-10,15,22-24H2,1-7H3/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104543 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:26:28:30.31:33.34| Show InChI InChI=1S/C38H48N4O/c1-25-20-26(2)22-29(21-25)36-35(27(3)24-40-17-7-6-8-28-15-18-39-19-16-28)33-23-30(9-14-34(33)41-36)38(4,5)37(43)42-31-10-11-32(42)13-12-31/h9,14-16,18-23,27,31-32,40-41H,6-8,10-13,17,24H2,1-5H3/t27-,31?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104557 (1-(8-Aza-bicyclo[3.2.1]oct-8-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CCC2)-c1cc(C)cc(C)c1 |THB:26:28:30.31:34.35.33| Show InChI InChI=1S/C39H50N4O/c1-26-21-27(2)23-30(22-26)37-36(28(3)25-41-18-7-6-9-29-16-19-40-20-17-29)34-24-31(12-15-35(34)42-37)39(4,5)38(44)43-32-10-8-11-33(43)14-13-32/h12,15-17,19-24,28,32-33,41-42H,6-11,13-14,18,25H2,1-5H3/t28-,32?,33?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104562 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:24:26:31.32:28.29| Show InChI InChI=1S/C36H44N4O/c1-23-18-24(2)20-27(19-23)34-33(25(3)22-38-17-14-26-12-15-37-16-13-26)31-21-28(6-11-32(31)39-34)36(4,5)35(41)40-29-7-8-30(40)10-9-29/h6,11-13,15-16,18-21,25,29-30,38-39H,7-10,14,17,22H2,1-5H3/t25-,29?,30?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104561 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES COc1ccc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)cn1 |wD:10.10,TLB:24:26:30.29:32.33,(18.25,3.96,;17.48,2.63,;15.94,2.63,;15.17,3.98,;13.63,3.98,;12.86,2.65,;11.32,2.65,;10.55,1.32,;9.01,1.33,;8.24,,;6.7,.02,;5.93,1.35,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,;13.63,1.31,;15.17,1.3,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-27-9-14-34(44-6)40-22-27)32-20-30(10-13-33(32)41-36)38(4,5)37(43)42-23-28-7-11-31(42)12-8-28/h9-10,13-14,17-20,22,26,28,31,39,41H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104554 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc(=O)[nH]c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:25:27:31.30:33.34,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-2.82,4.08,;-3.63,2.98,;-3.63,.82,;-5.08,.2,;-4.43,1.7,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,)| Show InChI InChI=1S/C37H46N4O2/c1-23-16-24(2)18-28(17-23)35-34(25(3)20-38-15-14-26-8-13-33(42)39-21-26)31-19-29(9-12-32(31)40-35)37(4,5)36(43)41-22-27-6-10-30(41)11-7-27/h8-9,12-13,16-19,21,25,27,30,38,40H,6-7,10-11,14-15,20,22H2,1-5H3,(H,39,42)/t25-,27?,30?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104538 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:26:28:32.31:34.35,(5.75,.3,;6.52,-1.03,;8.06,-1.05,;8.83,.28,;10.37,.27,;11.14,1.6,;12.68,1.6,;13.46,2.93,;15,2.92,;15.78,4.25,;17.32,4.25,;18.09,2.92,;17.31,1.58,;15.76,1.58,;5.74,-2.36,;6.35,-3.78,;5.21,-4.79,;3.88,-4.02,;2.43,-4.49,;1.29,-3.46,;1.62,-1.96,;3.08,-1.49,;4.21,-2.53,;.47,-.92,;1.97,-.51,;-.62,.18,;-1,-1.38,;-1.32,-2.89,;-2.22,-.45,;-1.82,1.04,;-3.33,1.45,;-3.33,2.99,;-4.15,2.22,;-4.15,,;-5.2,-.45,;-4.81,1.04,;7.85,-4.11,;8.31,-5.58,;9.83,-5.9,;10.3,-7.36,;10.86,-4.76,;10.39,-3.29,;11.42,-2.15,;8.89,-2.96,)| Show InChI InChI=1S/C39H50N4O/c1-26-20-27(2)22-31(21-26)37-36(28(3)24-41-17-7-6-8-29-15-18-40-19-16-29)34-23-32(11-14-35(34)42-37)39(4,5)38(44)43-25-30-9-12-33(43)13-10-30/h11,14-16,18-23,28,30,33,41-42H,6-10,12-13,17,24-25H2,1-5H3/t28-,30?,33?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104555 (1-(1R,4S)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@H]2CC[C@@H]1C2)-c1cc(C)cc(C)c1 |TLB:26:28:34:32.31| Show InChI InChI=1S/C38H48N4O/c1-25-18-26(2)20-30(19-25)36-35(27(3)23-40-15-7-6-8-28-13-16-39-17-14-28)33-22-31(10-12-34(33)41-36)38(4,5)37(43)42-24-29-9-11-32(42)21-29/h10,12-14,16-20,22,27,29,32,40-41H,6-9,11,15,21,23-24H2,1-5H3/t27-,29+,32-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104541 (1-(1R,4S)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...) Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@H]2CC[C@@H]1C2)-c1cc(C)cc(C)c1 |TLB:24:26:32:30.29| Show InChI InChI=1S/C36H44N4O/c1-23-16-24(2)18-28(17-23)34-33(25(3)21-38-15-12-26-10-13-37-14-11-26)31-20-29(7-9-32(31)39-34)36(4,5)35(41)40-22-27-6-8-30(40)19-27/h7,9-11,13-14,16-18,20,25,27,30,38-39H,6,8,12,15,19,21-22H2,1-5H3/t25-,27+,30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104560 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC(C)(C)CC1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H52N4O/c1-27-22-28(2)24-31(23-27)36-35(29(3)26-41-17-9-8-10-30-13-18-40-19-14-30)33-25-32(11-12-34(33)42-36)39(6,7)37(44)43-20-15-38(4,5)16-21-43/h11-14,18-19,22-25,29,41-42H,8-10,15-17,20-21,26H2,1-7H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50101216 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:33:35:37.38:40.41| Show InChI InChI=1S/C37H46N4O/c1-25-21-26(2)23-28(22-25)35-32(16-20-38-17-6-5-7-27-14-18-39-19-15-27)33-24-29(8-13-34(33)40-35)37(3,4)36(42)41-30-9-10-31(41)12-11-30/h8,13-15,18-19,21-24,30-31,38,40H,5-7,9-12,16-17,20H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104545 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@H]2CCCC[C@H]2C1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C40H52N4O/c1-27-20-28(2)22-33(21-27)38-37(29(3)24-42-17-9-8-10-30-15-18-41-19-16-30)35-23-34(13-14-36(35)43-38)40(4,5)39(45)44-25-31-11-6-7-12-32(31)26-44/h13-16,18-23,29,31-32,42-43H,6-12,17,24-26H2,1-5H3/t29-,31-,32+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104550 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:32.31:34.35,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-28-9-14-34(43)41(6)22-28)32-20-30(10-13-33(32)40-36)38(4,5)37(44)42-23-27-7-11-31(42)12-8-27/h9-10,13-14,17-20,22,26-27,31,39-40H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,27?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104541 (1-(1R,4S)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...) Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@H]2CC[C@@H]1C2)-c1cc(C)cc(C)c1 |TLB:24:26:32:30.29| Show InChI InChI=1S/C36H44N4O/c1-23-16-24(2)18-28(17-23)34-33(25(3)21-38-15-12-26-10-13-37-14-11-26)31-20-29(7-9-32(31)39-34)36(4,5)35(41)40-22-27-6-8-30(40)19-27/h7,9-11,13-14,16-18,20,25,27,30,38-39H,6,8,12,15,19,21-22H2,1-5H3/t25-,27+,30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104548 (1-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC(CC2)C1)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:31.32:35.34,(5.63,.3,;6.4,-1.03,;7.94,-1.05,;8.71,.28,;10.25,.27,;11.02,1.6,;12.56,1.6,;13.35,2.93,;14.89,2.92,;15.64,1.58,;17.2,1.58,;17.97,2.92,;17.2,4.25,;15.66,4.25,;5.62,-2.36,;6.24,-3.78,;5.09,-4.79,;3.76,-4.02,;2.31,-4.49,;1.17,-3.46,;1.5,-1.96,;2.96,-1.49,;4.09,-2.53,;.36,-.92,;-.74,.18,;1.85,-.51,;-1.11,-1.38,;-1.44,-2.89,;-2.33,-.45,;-2.75,1,;-4.32,1.28,;-5.43,.35,;-5.44,-1.19,;-4.55,-.05,;-5.37,1.7,;-4.99,2.75,;-3.45,.18,;7.73,-4.11,;8.77,-2.96,;10.27,-3.29,;11.3,-2.15,;10.74,-4.76,;9.71,-5.9,;10.18,-7.36,;8.2,-5.58,)| Show InChI InChI=1S/C40H52N4O/c1-27-20-28(2)22-33(21-27)38-37(29(3)24-42-17-7-6-8-30-15-18-41-19-16-30)35-23-34(13-14-36(35)43-38)40(4,5)39(45)44-25-31-9-10-32(26-44)12-11-31/h13-16,18-23,29,31-32,42-43H,6-12,17,24-26H2,1-5H3/t29-,31?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104542 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCc1cccnc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:24:26:30.29:32.33,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;15.17,1.3,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C37H46N4O/c1-24-17-25(2)19-29(18-24)35-34(26(3)21-39-16-14-27-7-6-15-38-22-27)32-20-30(10-13-33(32)40-35)37(4,5)36(42)41-23-28-8-11-31(41)12-9-28/h6-7,10,13,15,17-20,22,26,28,31,39-40H,8-9,11-12,14,16,21,23H2,1-5H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104547 (1-(8-Aza-spiro[4.5]dec-8-yl)-2-{2-(3,5-dimethyl-ph...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC2(CCCC2)CC1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C41H54N4O/c1-29-24-30(2)26-33(25-29)38-37(31(3)28-43-19-9-6-10-32-13-20-42-21-14-32)35-27-34(11-12-36(35)44-38)40(4,5)39(46)45-22-17-41(18-23-45)15-7-8-16-41/h11-14,20-21,24-27,31,43-44H,6-10,15-19,22-23,28H2,1-5H3/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104538 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:26:28:32.31:34.35,(5.75,.3,;6.52,-1.03,;8.06,-1.05,;8.83,.28,;10.37,.27,;11.14,1.6,;12.68,1.6,;13.46,2.93,;15,2.92,;15.78,4.25,;17.32,4.25,;18.09,2.92,;17.31,1.58,;15.76,1.58,;5.74,-2.36,;6.35,-3.78,;5.21,-4.79,;3.88,-4.02,;2.43,-4.49,;1.29,-3.46,;1.62,-1.96,;3.08,-1.49,;4.21,-2.53,;.47,-.92,;1.97,-.51,;-.62,.18,;-1,-1.38,;-1.32,-2.89,;-2.22,-.45,;-1.82,1.04,;-3.33,1.45,;-3.33,2.99,;-4.15,2.22,;-4.15,,;-5.2,-.45,;-4.81,1.04,;7.85,-4.11,;8.31,-5.58,;9.83,-5.9,;10.3,-7.36,;10.86,-4.76,;10.39,-3.29,;11.42,-2.15,;8.89,-2.96,)| Show InChI InChI=1S/C39H50N4O/c1-26-20-27(2)22-31(21-26)37-36(28(3)24-41-17-7-6-8-29-15-18-40-19-16-29)34-23-32(11-14-35(34)42-37)39(4,5)38(44)43-25-30-9-12-33(43)13-10-30/h11,14-16,18-23,28,30,33,41-42H,6-10,12-13,17,24-25H2,1-5H3/t28-,30?,33?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104549 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES COCn1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccc1=O |wD:10.10,TLB:24:26:30.29:32.33,(18.23,-1.38,;17.46,-.05,;15.92,-.03,;15.17,1.3,;13.63,1.31,;12.86,2.65,;11.32,2.65,;10.55,1.32,;9.01,1.33,;8.24,,;6.7,.02,;5.93,1.35,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,)| Show InChI InChI=1S/C39H50N4O3/c1-25-17-26(2)19-30(18-25)37-36(27(3)21-40-16-15-29-9-14-35(44)42(22-29)24-46-6)33-20-31(10-13-34(33)41-37)39(4,5)38(45)43-23-28-7-11-32(43)12-8-28/h9-10,13-14,17-20,22,27-28,32,40-41H,7-8,11-12,15-16,21,23-24H2,1-6H3/t27-,28?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104555 (1-(1R,4S)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@H]2CC[C@@H]1C2)-c1cc(C)cc(C)c1 |TLB:26:28:34:32.31| Show InChI InChI=1S/C38H48N4O/c1-25-18-26(2)20-30(19-25)36-35(27(3)23-40-15-7-6-8-28-13-16-39-17-14-28)33-22-31(10-12-34(33)41-36)38(4,5)37(43)42-24-29-9-11-32(42)21-29/h10,12-14,16-20,22,27,29,32,40-41H,6-9,11,15,21,23-24H2,1-5H3/t27-,29+,32-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104540 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1cc(C)c(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:27:29:33.32:35.36,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,5.31,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,)| Show InChI InChI=1S/C39H50N4O2/c1-24-16-25(2)18-30(17-24)36-35(27(4)21-40-15-14-29-19-26(3)37(44)42(7)22-29)33-20-31(10-13-34(33)41-36)39(5,6)38(45)43-23-28-8-11-32(43)12-9-28/h10,13,16-20,22,27-28,32,40-41H,8-9,11-12,14-15,21,23H2,1-7H3/t27-,28?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104565 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)C(C)(C)c1ccc2[nH]c(c([C@H](C)CNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C38H51N5O3S/c1-7-47(45,46)43-20-18-42(19-21-43)37(44)38(5,6)32-11-12-34-33(25-32)35(36(41-34)31-23-27(2)22-28(3)24-31)29(4)26-40-15-9-8-10-30-13-16-39-17-14-30/h11-14,16-17,22-25,29,40-41H,7-10,15,18-21,26H2,1-6H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104539 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2(C)CC1CC(C)(C)C2)-c1cc(C)cc(C)c1 |THB:26:28:32:35.34.38| Show InChI InChI=1S/C42H56N4O/c1-28-19-29(2)21-32(20-28)38-37(30(3)25-44-16-10-9-11-31-14-17-43-18-15-31)35-22-33(12-13-36(35)45-38)41(6,7)39(47)46-27-42(8)24-34(46)23-40(4,5)26-42/h12-15,17-22,30,34,44-45H,9-11,16,23-27H2,1-8H3/t30-,34?,42?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104556 (1-(6-Aza-bicyclo[3.2.1]oct-6-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CC1CCC2)-c1cc(C)cc(C)c1 |THB:26:28:31:33.34.35| Show InChI InChI=1S/C39H50N4O/c1-26-19-27(2)21-31(20-26)37-36(28(3)24-41-16-7-6-9-29-14-17-40-18-15-29)34-23-32(12-13-35(34)42-37)39(4,5)38(44)43-25-30-10-8-11-33(43)22-30/h12-15,17-21,23,28,30,33,41-42H,6-11,16,22,24-25H2,1-5H3/t28-,30?,33?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104553 (3-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1cccn(C)c1=O)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:26:28:32.31:34.35,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;12.84,-.02,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-2.82,4.08,;-3.63,2.98,;-3.63,.82,;-5.08,.2,;-4.43,1.7,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C38H48N4O2/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-16-15-28-8-7-17-41(6)36(28)43)32-21-30(11-14-33(32)40-35)38(4,5)37(44)42-23-27-9-12-31(42)13-10-27/h7-8,11,14,17-21,26-27,31,39-40H,9-10,12-13,15-16,22-23H2,1-6H3/t26-,27?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104544 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc2[nH]c(c([C@H](C)CNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C40H56N4O/c1-27(2)25-44(26-28(3)4)39(45)40(8,9)34-13-14-36-35(23-34)37(38(43-36)33-21-29(5)20-30(6)22-33)31(7)24-42-17-11-10-12-32-15-18-41-19-16-32/h13-16,18-23,27-28,31,42-43H,10-12,17,24-26H2,1-9H3/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104543 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:26:28:30.31:33.34| Show InChI InChI=1S/C38H48N4O/c1-25-20-26(2)22-29(21-25)36-35(27(3)24-40-17-7-6-8-28-15-18-39-19-16-28)33-23-30(9-14-34(33)41-36)38(4,5)37(43)42-31-10-11-32(42)13-12-31/h9,14-16,18-23,27,31-32,40-41H,6-8,10-13,17,24H2,1-5H3/t27-,31?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104559 (4-(2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C41H55N5O3/c1-28-23-29(2)25-32(24-28)37-36(30(3)27-43-16-10-9-11-31-14-17-42-18-15-31)34-26-33(12-13-35(34)44-37)41(7,8)38(47)45-19-21-46(22-20-45)39(48)49-40(4,5)6/h12-15,17-18,23-26,30,43-44H,9-11,16,19-22,27H2,1-8H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104539 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2(C)CC1CC(C)(C)C2)-c1cc(C)cc(C)c1 |THB:26:28:32:35.34.38| Show InChI InChI=1S/C42H56N4O/c1-28-19-29(2)21-32(20-28)38-37(30(3)25-44-16-10-9-11-31-14-17-43-18-15-31)35-22-33(12-13-36(35)45-38)41(6,7)39(47)46-27-42(8)24-34(46)23-40(4,5)26-42/h12-15,17-22,30,34,44-45H,9-11,16,23-27H2,1-8H3/t30-,34?,42?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104556 (1-(6-Aza-bicyclo[3.2.1]oct-6-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CC1CCC2)-c1cc(C)cc(C)c1 |THB:26:28:31:33.34.35| Show InChI InChI=1S/C39H50N4O/c1-26-19-27(2)21-31(20-26)37-36(28(3)24-41-16-7-6-9-29-14-17-40-18-15-29)34-23-32(12-13-35(34)42-37)39(4,5)38(44)43-25-30-10-8-11-33(43)22-30/h12-15,17-21,23,28,30,33,41-42H,6-11,16,22,24-25H2,1-5H3/t28-,30?,33?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104562 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:24:26:31.32:28.29| Show InChI InChI=1S/C36H44N4O/c1-23-18-24(2)20-27(19-23)34-33(25(3)22-38-17-14-26-12-15-37-16-13-26)31-21-28(6-11-32(31)39-34)36(4,5)35(41)40-29-7-8-30(40)10-9-29/h6,11-13,15-16,18-21,25,29-30,38-39H,7-10,14,17,22H2,1-5H3/t25-,29?,30?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104552 ((S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-d...) Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |r,wD:1.0,TLB:24:26:29.30:33.32,(25.26,-8.15,;26.29,-9.29,;27.8,-8.96,;28.26,-7.49,;29.77,-7.16,;30.24,-5.69,;31.74,-5.37,;32.77,-6.5,;34.27,-6.18,;34.74,-4.71,;33.7,-3.57,;32.2,-3.9,;25.83,-10.75,;26.74,-12,;25.84,-13.25,;24.37,-12.78,;23.03,-13.56,;21.7,-12.79,;21.7,-11.25,;23.03,-10.48,;24.36,-11.24,;20.36,-10.48,;21.13,-9.14,;19.6,-11.81,;19.02,-9.71,;19.02,-8.17,;17.69,-10.48,;16.41,-9.46,;14.8,-9.85,;13.82,-8.69,;14.04,-10.08,;15.23,-11.49,;14.85,-12.73,;14.16,-11.3,;28.28,-11.99,;29.03,-10.65,;30.57,-10.64,;31.33,-9.3,;31.36,-11.97,;30.59,-13.31,;31.37,-14.64,;29.05,-13.32,)| Show InChI InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104551 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCC1CCC(=O)N(C)C1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:32.31:34.35,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C38H52N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-28-9-14-34(43)41(6)22-28)32-20-30(10-13-33(32)40-36)38(4,5)37(44)42-23-27-7-11-31(42)12-8-27/h10,13,17-20,26-28,31,39-40H,7-9,11-12,14-16,21-23H2,1-6H3/t26-,27?,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104564 (1-(1S,4R)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@@H]2CC[C@H]1C2)-c1cc(C)cc(C)c1 |TLB:26:28:34:32.31| Show InChI InChI=1S/C38H48N4O/c1-25-18-26(2)20-30(19-25)36-35(27(3)23-40-15-7-6-8-28-13-16-39-17-14-28)33-22-31(10-12-34(33)41-36)38(4,5)37(43)42-24-29-9-11-32(42)21-29/h10,12-14,16-20,22,27,29,32,40-41H,6-9,11,15,21,23-24H2,1-5H3/t27-,29-,32+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104557 (1-(8-Aza-bicyclo[3.2.1]oct-8-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CCC2)-c1cc(C)cc(C)c1 |THB:26:28:30.31:34.35.33| Show InChI InChI=1S/C39H50N4O/c1-26-21-27(2)23-30(22-26)37-36(28(3)25-41-18-7-6-9-29-16-19-40-20-17-29)34-24-31(12-15-35(34)42-37)39(4,5)38(44)43-32-10-8-11-33(43)14-13-32/h12,15-17,19-24,28,32-33,41-42H,6-11,13-14,18,25H2,1-5H3/t28-,32?,33?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104561 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES COc1ccc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)cn1 |wD:10.10,TLB:24:26:30.29:32.33,(18.25,3.96,;17.48,2.63,;15.94,2.63,;15.17,3.98,;13.63,3.98,;12.86,2.65,;11.32,2.65,;10.55,1.32,;9.01,1.33,;8.24,,;6.7,.02,;5.93,1.35,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,;13.63,1.31,;15.17,1.3,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-27-9-14-34(44-6)40-22-27)32-20-30(10-13-33(32)41-36)38(4,5)37(43)42-23-28-7-11-31(42)12-8-28/h9-10,13-14,17-20,22,26,28,31,39,41H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104548 (1-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-{2-(3,5-dimethy...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC(CC2)C1)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:31.32:35.34,(5.63,.3,;6.4,-1.03,;7.94,-1.05,;8.71,.28,;10.25,.27,;11.02,1.6,;12.56,1.6,;13.35,2.93,;14.89,2.92,;15.64,1.58,;17.2,1.58,;17.97,2.92,;17.2,4.25,;15.66,4.25,;5.62,-2.36,;6.24,-3.78,;5.09,-4.79,;3.76,-4.02,;2.31,-4.49,;1.17,-3.46,;1.5,-1.96,;2.96,-1.49,;4.09,-2.53,;.36,-.92,;-.74,.18,;1.85,-.51,;-1.11,-1.38,;-1.44,-2.89,;-2.33,-.45,;-2.75,1,;-4.32,1.28,;-5.43,.35,;-5.44,-1.19,;-4.55,-.05,;-5.37,1.7,;-4.99,2.75,;-3.45,.18,;7.73,-4.11,;8.77,-2.96,;10.27,-3.29,;11.3,-2.15,;10.74,-4.76,;9.71,-5.9,;10.18,-7.36,;8.2,-5.58,)| Show InChI InChI=1S/C40H52N4O/c1-27-20-28(2)22-33(21-27)38-37(29(3)24-42-17-7-6-8-30-15-18-41-19-16-30)35-23-34(13-14-36(35)43-38)40(4,5)39(45)44-25-31-9-10-32(26-44)12-11-31/h13-16,18-23,29,31-32,42-43H,6-12,17,24-26H2,1-5H3/t29-,31?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104544 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc2[nH]c(c([C@H](C)CNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C40H56N4O/c1-27(2)25-44(26-28(3)4)39(45)40(8,9)34-13-14-36-35(23-34)37(38(43-36)33-21-29(5)20-30(6)22-33)31(7)24-42-17-11-10-12-32-15-18-41-19-16-32/h13-16,18-23,27-28,31,42-43H,10-12,17,24-26H2,1-9H3/t31-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50101216 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:33:35:37.38:40.41| Show InChI InChI=1S/C37H46N4O/c1-25-21-26(2)23-28(22-25)35-32(16-20-38-17-6-5-7-27-14-18-39-19-15-27)33-24-29(8-13-34(33)40-35)37(3,4)36(42)41-30-9-10-31(41)12-11-30/h8,13-15,18-19,21-24,30-31,38,40H,5-7,9-12,16-17,20H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104563 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCCCC2C2CCCCC12)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C44H58N4O/c1-29-24-30(2)26-33(25-29)42-41(31(3)28-46-21-11-10-12-32-19-22-45-23-20-32)37-27-34(17-18-38(37)47-42)44(4,5)43(49)48-39-15-8-6-13-35(39)36-14-7-9-16-40(36)48/h17-20,22-27,31,35-36,39-40,46-47H,6-16,21,28H2,1-5H3/t31-,35?,36?,39?,40?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104558 (1-(3,3-Dimethyl-azetidin-1-yl)-2-{2-(3,5-dimethyl-...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC(C)(C)C1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C37H48N4O/c1-25-18-26(2)20-29(19-25)34-33(27(3)22-39-15-9-8-10-28-13-16-38-17-14-28)31-21-30(11-12-32(31)40-34)37(6,7)35(42)41-23-36(4,5)24-41/h11-14,16-21,27,39-40H,8-10,15,22-24H2,1-7H3/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair

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