Compile Data Set for Download or QSAR

Found 456 hits with Last Name = 'huang' and Initial = 'sx'   

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))	BDBM50110618 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(14.69,-8.66,;14.69,-10.42,;16.2,-11.29,;17.73,-10.42,;19.25,-11.29,;20.77,-10.42,;22.27,-11.29,;22.18,-13.04,;23.65,-14,;25.22,-13.19,;26.85,-13.81,;27.95,-12.43,;26.98,-10.97,;25.3,-11.44,;23.82,-10.5,;13.19,-11.29,;13.2,-12.83,;11.88,-13.6,;10.55,-12.83,;9.25,-13.62,;7.92,-12.88,;7.89,-11.34,;9.22,-10.57,;10.55,-11.32,;6.57,-10.57,;5.48,-9.49,;7.34,-9.24,;5.26,-11.36,;5.27,-12.88,;3.94,-10.6,;4.06,-9.03,;2,-9.01,;1.36,-7.95,;1.04,-9.25,;1.83,-10.57,;.73,-12.4,;.78,-10.76,;14.53,-13.57,;14.53,-15.11,;15.88,-15.86,;15.88,-17.4,;17.19,-15.09,;17.18,-13.55,;18.5,-12.75,;15.83,-12.8,)| Show InChI InChI=1S/C38H46N6O/c1-23-14-24(2)16-28(15-23)35-34(25(3)19-39-13-12-27-17-33-36(40-20-27)42-22-41-33)31-18-29(8-11-32(31)43-35)38(4,5)37(45)44-21-26-6-9-30(44)10-7-26/h8,11,14-18,20,22,25-26,30,39,43H,6-7,9-10,12-13,19,21H2,1-5H3,(H,40,41,42)/t25-,26?,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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110626 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(1...) Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.54,-2.59,;13.54,-4.34,;15.05,-5.22,;16.55,-4.34,;18.06,-5.22,;19.59,-4.34,;21.08,-5.22,;21.11,-6.97,;22.62,-7.82,;24.1,-6.94,;25.76,-7.47,;26.77,-6.07,;25.77,-4.67,;24.1,-5.22,;22.59,-4.34,;12.03,-5.22,;12.04,-6.73,;10.73,-7.52,;9.41,-6.75,;8.1,-7.53,;6.78,-6.79,;6.76,-5.25,;8.07,-4.48,;9.4,-5.22,;5.44,-4.5,;6.19,-3.16,;4.34,-3.41,;4.11,-5.28,;4.14,-6.8,;2.79,-4.53,;3.71,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.86,-4.43,;.01,-3.05,;13.37,-7.49,;14.67,-6.71,;16,-7.45,;17.32,-6.67,;16.02,-8.98,;14.7,-9.77,;14.72,-11.29,;13.38,-9.01,)| Show InChI InChI=1S/C38H46N6O/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-39-15-14-26-8-12-33-34(19-26)42-43-41-33)31-20-29(9-13-32(31)40-36)38(4,5)37(45)44-22-27-6-10-30(44)11-7-27/h8-9,12-13,16-20,25,27,30,39-40H,6-7,10-11,14-15,21-22H2,1-5H3,(H,41,42,43)/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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110617 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-b...) Show SMILES C[C@H](CNCCc1ccc2ocnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32| Show InChI InChI=1S/C38H44N4O2/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-13-34-33(19-26)40-22-44-34)31-20-28(7-12-32(31)41-36)38(4,5)37(43)42-29-8-9-30(42)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,41H,8-11,14-15,21H2,1-5H3/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090552 (1-[7-Chloro-3-(3,5-dimethyl-phenyl)-2-oxo-4-(2-pip...) Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(NC(=O)Nc3cnccn3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C29H31ClN6O3/c1-17-11-18(2)13-19(12-17)26-27(39-10-6-20-5-3-4-7-32-20)21-14-24(22(30)15-23(21)34-28(26)37)35-29(38)36-25-16-31-8-9-33-25/h8-9,11-16,20,32H,3-7,10H2,1-2H3,(H,34,37)(H2,33,35,36,38)	KEGG UniProtKB/SwissProt 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 Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50090540 (7-Chloro-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-3-(...) Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C30H32ClN5O3/c1-17-12-20(13-18(2)19(17)3)27-28(39-11-8-21-6-4-5-9-33-21)23-14-22(24(31)15-25(23)35-30(27)38)29(37)36-26-7-10-32-16-34-26/h7,10,12-16,21,33H,4-6,8-9,11H2,1-3H3,(H,35,38)(H,32,34,36,37)/t21-/m0/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 Inhibition of recombinant human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110618 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(14.69,-8.66,;14.69,-10.42,;16.2,-11.29,;17.73,-10.42,;19.25,-11.29,;20.77,-10.42,;22.27,-11.29,;22.18,-13.04,;23.65,-14,;25.22,-13.19,;26.85,-13.81,;27.95,-12.43,;26.98,-10.97,;25.3,-11.44,;23.82,-10.5,;13.19,-11.29,;13.2,-12.83,;11.88,-13.6,;10.55,-12.83,;9.25,-13.62,;7.92,-12.88,;7.89,-11.34,;9.22,-10.57,;10.55,-11.32,;6.57,-10.57,;5.48,-9.49,;7.34,-9.24,;5.26,-11.36,;5.27,-12.88,;3.94,-10.6,;4.06,-9.03,;2,-9.01,;1.36,-7.95,;1.04,-9.25,;1.83,-10.57,;.73,-12.4,;.78,-10.76,;14.53,-13.57,;14.53,-15.11,;15.88,-15.86,;15.88,-17.4,;17.19,-15.09,;17.18,-13.55,;18.5,-12.75,;15.83,-12.8,)| Show InChI InChI=1S/C38H46N6O/c1-23-14-24(2)16-28(15-23)35-34(25(3)19-39-13-12-27-17-33-36(40-20-27)42-22-41-33)31-18-29(8-11-32(31)43-35)38(4,5)37(45)44-21-26-6-9-30(44)10-7-26/h8,11,14-18,20,22,25-26,30,39,43H,6-7,9-10,12-13,19,21H2,1-5H3,(H,40,41,42)/t25-,26?,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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110623 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(1...) Show SMILES C[C@H](CNCCc1ccc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(8.9,-1.99,;9.93,-3.13,;11.43,-2.8,;11.9,-1.33,;13.39,-1.01,;13.88,.46,;15.37,.78,;16.4,-.36,;17.9,-.03,;18.38,1.44,;19.77,2.06,;19.61,3.58,;18.1,3.9,;17.34,2.58,;15.84,2.25,;9.46,-4.59,;10.36,-5.84,;9.46,-7.08,;7.99,-6.6,;6.67,-7.36,;5.34,-6.6,;5.34,-5.06,;6.67,-4.29,;7.99,-5.06,;3.99,-4.29,;2.65,-3.52,;4.76,-2.96,;3.22,-5.64,;3.99,-6.97,;1.68,-5.64,;.92,-4.31,;-.42,-5.1,;-1.76,-4.33,;-1.35,-5.82,;-.02,-6.59,;-.02,-8.13,;-.79,-6.81,;11.88,-6.01,;12.51,-7.41,;14.05,-7.57,;14.67,-8.99,;14.95,-6.32,;14.33,-4.92,;15.23,-3.66,;12.79,-4.76,)| Show InChI InChI=1S/C39H47N5O/c1-24-16-25(2)18-29(17-24)37-36(26(3)21-40-15-14-27-8-12-34-35(19-27)42-23-41-34)32-20-30(9-13-33(32)43-37)39(4,5)38(45)44-22-28-6-10-31(44)11-7-28/h8-9,12-13,16-20,23,26,28,31,40,43H,6-7,10-11,14-15,21-22H2,1-5H3,(H,41,42)/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110597 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-b...) Show SMILES C[C@H](CNCCc1ccc2ncoc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32| Show InChI InChI=1S/C38H44N4O2/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-12-33-34(19-26)44-22-40-33)31-20-28(7-13-32(31)41-36)38(4,5)37(43)42-29-8-9-30(42)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,41H,8-11,14-15,21H2,1-5H3/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090555 (1-[7-Chloro-3-(3,5-dimethyl-phenyl)-2-oxo-4-(2-pip...) Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(NC(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C29H31ClN6O3/c1-17-11-18(2)13-19(12-17)26-27(39-10-7-20-5-3-4-8-32-20)21-14-24(22(30)15-23(21)34-28(26)37)35-29(38)36-25-6-9-31-16-33-25/h6,9,11-16,20,32H,3-5,7-8,10H2,1-2H3,(H,34,37)(H2,31,33,35,36,38)	KEGG UniProtKB/SwissProt 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 Compound was evaluated for its inhibitory activity against rat pituitary Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327846 (1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(t...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1 Show InChI InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase (unknown origin)				Medchemcomm 379-384 (2012) Article DOI: 10.1039/c2md00288d BindingDB Entry DOI: 10.7270/Q2JD50RG
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50496759 (CHEMBL3222130) Show SMILES CC(C)(C)OC(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1 |TLB:24:25:28:32.31.30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25| Show InChI InChI=1S/C31H47N3O4/c1-30(2,3)38-29(36)34-12-10-33(11-13-34)9-4-5-14-37-27-8-6-7-26(18-27)32-28(35)22-31-19-23-15-24(20-31)17-25(16-23)21-31/h6-8,18,23-25H,4-5,9-17,19-22H2,1-3H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...				Medchemcomm 379-384 (2012) Article DOI: 10.1039/c2md00288d BindingDB Entry DOI: 10.7270/Q2JD50RG
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110613 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...) Show SMILES C[C@H](CNCCc1ccc2nc(C)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:28:30:32.33:36.35| Show InChI InChI=1S/C39H47N5O/c1-23-17-24(2)19-28(18-23)37-36(25(3)22-40-16-15-27-7-13-34-35(20-27)42-26(4)41-34)32-21-29(8-14-33(32)43-37)39(5,6)38(45)44-30-9-10-31(44)12-11-30/h7-8,13-14,17-21,25,30-31,40,43H,9-12,15-16,22H2,1-6H3,(H,41,42)/t25-,30?,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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110611 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-{(S)-2-[2-(...) Show SMILES C[C@H](CNCCc1ccc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32| Show InChI InChI=1S/C38H45N5O/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-12-33-34(19-26)41-22-40-33)31-20-28(7-13-32(31)42-36)38(4,5)37(44)43-29-8-9-30(43)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,42H,8-11,14-15,21H2,1-5H3,(H,40,41)/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110619 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCCc1cnc2nccnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:30:32:37.38:34.35| Show InChI InChI=1S/C40H48N6O/c1-25-18-26(2)20-29(19-25)37-36(27(3)23-41-15-7-6-8-28-21-35-38(44-24-28)43-17-16-42-35)33-22-30(9-14-34(33)45-37)40(4,5)39(47)46-31-10-11-32(46)13-12-31/h9,14,16-22,24,27,31-32,41,45H,6-8,10-13,15,23H2,1-5H3/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110627 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...) Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:34.35:31.32| Show InChI InChI=1S/C37H44N6O/c1-22-14-23(2)16-26(15-22)34-33(24(3)19-38-13-12-25-17-32-35(39-20-25)41-21-40-32)30-18-27(6-11-31(30)42-34)37(4,5)36(44)43-28-7-8-29(43)10-9-28/h6,11,14-18,20-21,24,28-29,38,42H,7-10,12-13,19H2,1-5H3,(H,39,40,41)/t24-,28?,29?/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 Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110600 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc2nc([nH]c2c1)C(O)=O)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;28.5,-6.07,;29.37,-7.59,;29.39,-4.56,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;.01,-3.05,;-.86,-4.43,;1.01,-3.44,;1.01,-1.89,;1.94,-.95,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C40H47N5O3/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-41-15-14-26-8-12-33-34(19-26)44-37(43-33)38(46)47)31-20-29(9-13-32(31)42-36)40(4,5)39(48)45-22-27-6-10-30(45)11-7-27/h8-9,12-13,16-20,25,27,30,41-42H,6-7,10-11,14-15,21-22H2,1-5H3,(H,43,44)(H,46,47)/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110599 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:29:31:36.37:33.34| Show InChI InChI=1S/C39H48N6O/c1-24-16-25(2)18-28(17-24)36-35(26(3)21-40-15-7-6-8-27-19-34-37(41-22-27)43-23-42-34)32-20-29(9-14-33(32)44-36)39(4,5)38(46)45-30-10-11-31(45)13-12-30/h9,14,16-20,22-23,26,30-31,40,44H,6-8,10-13,15,21H2,1-5H3,(H,41,42,43)/t26-,30?,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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110627 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...) Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:34.35:31.32| Show InChI InChI=1S/C37H44N6O/c1-22-14-23(2)16-26(15-22)34-33(24(3)19-38-13-12-25-17-32-35(39-20-25)41-21-40-32)30-18-27(6-11-31(30)42-34)37(4,5)36(44)43-28-7-8-29(43)10-9-28/h6,11,14-18,20-21,24,28-29,38,42H,7-10,12-13,19H2,1-5H3,(H,39,40,41)/t24-,28?,29?/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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50098391 ((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...) Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of binding of the compound to GnRH receptor in human				J Med Chem 44: 917-22 (2001) BindingDB Entry DOI: 10.7270/Q2H70F3D
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110614 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-[(S)-2-(2-be...) Show SMILES C[C@H](CNCCc1ccc2nsnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(14.68,-8.52,;14.68,-10.28,;16.19,-11.15,;17.72,-10.28,;19.23,-11.15,;20.75,-10.28,;22.26,-11.17,;22.27,-12.92,;23.78,-13.78,;25.28,-12.89,;26.94,-13.43,;27.96,-12.03,;26.94,-10.61,;25.28,-11.15,;23.77,-10.28,;13.18,-11.15,;13.19,-12.69,;11.87,-13.46,;10.54,-12.69,;9.24,-13.48,;7.91,-12.73,;7.89,-11.2,;9.21,-10.43,;10.54,-11.18,;6.56,-10.43,;5.47,-9.35,;7.33,-9.1,;5.25,-11.22,;5.26,-12.74,;3.93,-10.46,;4.7,-9.1,;2.85,-8.22,;1.01,-9.29,;.27,-10.75,;2.03,-9.56,;1.87,-8.02,;2.71,-6.99,;14.52,-13.43,;15.82,-12.66,;17.16,-13.41,;18.49,-12.61,;17.17,-14.94,;15.86,-15.71,;15.87,-17.25,;14.52,-14.97,)| Show InChI InChI=1S/C38H45N5OS/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-39-15-14-26-8-12-33-34(19-26)42-45-41-33)31-20-29(9-13-32(31)40-36)38(4,5)37(44)43-22-27-6-10-30(43)11-7-27/h8-9,12-13,16-20,25,27,30,39-40H,6-7,10-11,14-15,21-22H2,1-5H3/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50496754 (CHEMBL3222131) Show SMILES CS(=O)(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22| Show InChI InChI=1S/C27H41N3O4S/c1-35(32,33)30-10-8-29(9-11-30)7-2-3-12-34-25-6-4-5-24(16-25)28-26(31)20-27-17-21-13-22(18-27)15-23(14-21)19-27/h4-6,16,21-23H,2-3,7-15,17-20H2,1H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...				Medchemcomm 379-384 (2012) Article DOI: 10.1039/c2md00288d BindingDB Entry DOI: 10.7270/Q2JD50RG
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50090542 (7-Chloro-3-(4-iodo-3-methyl-phenyl)-2-oxo-4-((S)-2...) Show SMILES Cc1cc(ccc1I)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C28H27ClIN5O3/c1-16-12-17(5-6-22(16)30)25-26(38-11-8-18-4-2-3-9-32-18)20-13-19(21(29)14-23(20)34-28(25)37)27(36)35-24-7-10-31-15-33-24/h5-7,10,12-15,18,32H,2-4,8-9,11H2,1H3,(H,34,37)(H,31,33,35,36)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50098391 ((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...) Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of gonadotropin-releasing hormone receptor in rhesus monkey				J Med Chem 44: 917-22 (2001) BindingDB Entry DOI: 10.7270/Q2H70F3D
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50496748 (CHEMBL3222118) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:23:26:30.29.28,THB:31:23:26:30.29.28,31:29:26:32.24.23,24:25:28:32.23.31,24:23:26.25.30:28| Show InChI InChI=1S/C27H38N4O4/c1-26(2,3)35-25(34)31-10-8-30(9-11-31)23(32)21-4-6-22(7-5-21)28-24(33)29-27-15-18-12-19(16-27)14-20(13-18)17-27/h4-7,18-20H,8-17H2,1-3H3,(H2,28,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...				Medchemcomm 379-384 (2012) Article DOI: 10.1039/c2md00288d BindingDB Entry DOI: 10.7270/Q2JD50RG
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110593 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc2[nH]c(=O)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;28.5,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;.01,-3.05,;-.86,-4.43,;1.01,-3.44,;1.01,-1.89,;1.94,-.95,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C39H47N5O2/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-40-15-14-26-8-12-33-34(19-26)43-38(46)42-33)31-20-29(9-13-32(31)41-36)39(4,5)37(45)44-22-27-6-10-30(44)11-7-27/h8-9,12-13,16-20,25,27,30,40-41H,6-7,10-11,14-15,21-22H2,1-5H3,(H2,42,43,46)/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110593 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc2[nH]c(=O)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;28.5,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;.01,-3.05,;-.86,-4.43,;1.01,-3.44,;1.01,-1.89,;1.94,-.95,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C39H47N5O2/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-40-15-14-26-8-12-33-34(19-26)43-38(46)42-33)31-20-29(9-13-32(31)41-36)39(4,5)37(45)44-22-27-6-10-30(44)11-7-27/h8-9,12-13,16-20,25,27,30,40-41H,6-7,10-11,14-15,21-22H2,1-5H3,(H2,42,43,46)/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50496753 (CHEMBL3222129) Show SMILES CC(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C28H41N3O3/c1-21(32)31-10-8-30(9-11-31)7-2-3-12-34-26-6-4-5-25(16-26)29-27(33)20-28-17-22-13-23(18-28)15-24(14-22)19-28/h4-6,16,22-24H,2-3,7-15,17-20H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...				Medchemcomm 379-384 (2012) Article DOI: 10.1039/c2md00288d BindingDB Entry DOI: 10.7270/Q2JD50RG
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110594 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCCc1ccnc2nc(C)ccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:31:33:38.39:35.36| Show InChI InChI=1S/C42H51N5O/c1-26-21-27(2)23-31(22-26)39-38(28(3)25-43-19-8-7-9-30-18-20-44-40-35(30)16-10-29(4)45-40)36-24-32(11-17-37(36)46-39)42(5,6)41(48)47-33-12-13-34(47)15-14-33/h10-11,16-18,20-24,28,33-34,43,46H,7-9,12-15,19,25H2,1-6H3/t28-,33?,34?/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 Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110606 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-{(S)-2-[2-(...) Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:31.32:35.34| Show InChI InChI=1S/C37H44N6O/c1-22-16-23(2)18-26(17-22)35-34(24(3)21-38-15-14-25-6-12-32-33(19-25)41-42-40-32)30-20-27(7-13-31(30)39-35)37(4,5)36(44)43-28-8-9-29(43)11-10-28/h6-7,12-13,16-20,24,28-29,38-39H,8-11,14-15,21H2,1-5H3,(H,40,41,42)/t24-,28?,29?/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 Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110596 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCc1cccc2cnccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:28:30:35.36:32.33| Show InChI InChI=1S/C40H46N4O/c1-25-19-26(2)21-30(20-25)38-37(27(3)23-41-17-15-28-7-6-8-29-24-42-18-16-34(28)29)35-22-31(9-14-36(35)43-38)40(4,5)39(45)44-32-10-11-33(44)13-12-32/h6-9,14,16,18-22,24,27,32-33,41,43H,10-13,15,17,23H2,1-5H3/t27-,32?,33?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090555 (1-[7-Chloro-3-(3,5-dimethyl-phenyl)-2-oxo-4-(2-pip...) Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(NC(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C29H31ClN6O3/c1-17-11-18(2)13-19(12-17)26-27(39-10-7-20-5-3-4-8-32-20)21-14-24(22(30)15-23(21)34-28(26)37)35-29(38)36-25-6-9-31-16-33-25/h6,9,11-16,20,32H,3-5,7-8,10H2,1-2H3,(H,34,37)(H2,31,33,35,36,38)	KEGG UniProtKB/SwissProt 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 Compound was evaluated for its antagonism in rat primary pituitary cell assay (rLH)				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110595 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-[(S)-2-(2-be...) Show SMILES C[C@H](CNCCc1ccc2ncoc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(14.68,-8.52,;14.68,-10.28,;16.19,-11.15,;17.72,-10.28,;19.23,-11.15,;20.75,-10.28,;22.26,-11.17,;22.27,-12.92,;23.78,-13.78,;25.28,-12.89,;26.94,-13.43,;27.96,-12.03,;26.94,-10.61,;25.28,-11.15,;23.77,-10.28,;13.18,-11.15,;13.19,-12.69,;11.87,-13.46,;10.54,-12.69,;9.24,-13.48,;7.91,-12.73,;7.89,-11.2,;9.21,-10.43,;10.54,-11.18,;6.56,-10.43,;7.33,-9.1,;5.47,-9.35,;5.25,-11.22,;5.26,-12.74,;3.93,-10.46,;3.9,-8.9,;1.86,-9.08,;1.11,-8.09,;.91,-9.4,;1.84,-10.65,;.91,-12.57,;.8,-10.94,;14.52,-13.43,;15.82,-12.66,;17.16,-13.41,;18.49,-12.61,;17.17,-14.94,;15.86,-15.71,;15.87,-17.25,;14.52,-14.97,)| Show InChI InChI=1S/C39H46N4O2/c1-24-16-25(2)18-29(17-24)37-36(26(3)21-40-15-14-27-8-12-34-35(19-27)45-23-41-34)32-20-30(9-13-33(32)42-37)39(4,5)38(44)43-22-28-6-10-31(43)11-7-28/h8-9,12-13,16-20,23,26,28,31,40,42H,6-7,10-11,14-15,21-22H2,1-5H3/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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110620 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES C[C@H](CNCCc1cnc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.54,-2.6,;13.54,-4.34,;15.05,-5.22,;16.56,-4.34,;18.07,-5.22,;19.6,-4.34,;21.09,-5.23,;21.12,-6.98,;22.63,-7.82,;24.11,-6.95,;25.77,-7.48,;26.79,-6.07,;25.78,-4.67,;24.11,-5.22,;22.6,-4.34,;12.03,-5.22,;12.05,-6.74,;10.74,-7.52,;9.41,-6.75,;8.11,-7.53,;6.78,-6.79,;6.76,-5.25,;8.08,-4.49,;9.4,-5.23,;5.44,-4.5,;6.2,-3.16,;4.34,-3.42,;4.11,-5.28,;4.14,-6.81,;2.79,-4.53,;3.71,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.87,-4.43,;.01,-3.06,;13.38,-7.5,;14.68,-6.71,;16.01,-7.45,;17.33,-6.68,;16.03,-8.99,;14.71,-9.77,;14.73,-11.29,;13.39,-9.02,)| Show InChI InChI=1S/C37H45N7O/c1-22-14-23(2)16-27(15-22)34-33(24(3)19-38-13-12-26-17-32-35(39-20-26)42-43-41-32)30-18-28(8-11-31(30)40-34)37(4,5)36(45)44-21-25-6-9-29(44)10-7-25/h8,11,14-18,20,24-25,29,38,40H,6-7,9-10,12-13,19,21H2,1-5H3,(H,39,41,42,43)/t24-,25?,29?/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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					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 Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110602 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc2[nH]c(=O)[nH]c2c1F)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;28.5,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;22.58,-2.59,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;6.19,-3.16,;4.34,-3.41,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.86,-4.43,;.01,-3.05,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C39H46FN5O2/c1-22-16-23(2)18-27(17-22)35-33(24(3)20-41-15-14-26-8-12-32-36(34(26)40)44-38(47)43-32)30-19-28(9-13-31(30)42-35)39(4,5)37(46)45-21-25-6-10-29(45)11-7-25/h8-9,12-13,16-19,24-25,29,41-42H,6-7,10-11,14-15,20-21H2,1-5H3,(H2,43,44,47)/t24-,25?,29?/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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50090588 (7-Chloro-3-(3,4-dimethyl-phenyl)-2-oxo-4-((S)-2-pi...) Show SMILES Cc1ccc(cc1C)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C29H30ClN5O3/c1-17-6-7-19(13-18(17)2)26-27(38-12-9-20-5-3-4-10-32-20)22-14-21(23(30)15-24(22)34-29(26)37)28(36)35-25-8-11-31-16-33-25/h6-8,11,13-16,20,32H,3-5,9-10,12H2,1-2H3,(H,34,37)(H,31,33,35,36)/t20-/m0/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 Inhibition of recombinant human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50090576 (7-Chloro-3-indan-5-yl-2-oxo-4-((S)-2-piperidin-2-y...) Show SMILES Clc1cc2[nH]c(=O)c(-c3ccc4CCCc4c3)c(OCC[C@@H]3CCCCN3)c2cc1C(=O)Nc1ccncn1 Show InChI InChI=1S/C30H30ClN5O3/c31-24-16-25-23(15-22(24)29(37)36-26-9-12-32-17-34-26)28(39-13-10-21-6-1-2-11-33-21)27(30(38)35-25)20-8-7-18-4-3-5-19(18)14-20/h7-9,12,14-17,21,33H,1-6,10-11,13H2,(H,35,38)(H,32,34,36,37)/t21-/m0/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 Inhibition of recombinant human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110592 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCc1ccc2cnccc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:29:31:33.34:37.36| Show InChI InChI=1S/C41H48N4O/c1-26-19-27(2)21-32(20-26)39-38(28(3)24-42-17-6-7-29-8-9-31-25-43-18-16-30(31)22-29)36-23-33(10-15-37(36)44-39)41(4,5)40(46)45-34-11-12-35(45)14-13-34/h8-10,15-16,18-23,25,28,34-35,42,44H,6-7,11-14,17,24H2,1-5H3/t28-,34?,35?/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 Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110607 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES C[C@H](CNCCc1ccc2nc(CO)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;28.5,-6.07,;29.37,-7.59,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.86,-4.43,;.01,-3.05,;13.36,-7.49,;14.67,-6.7,;15.99,-7.44,;17.31,-6.67,;16.01,-8.98,;14.69,-9.76,;14.71,-11.28,;13.37,-9,)| Show InChI InChI=1S/C40H49N5O2/c1-24-16-25(2)18-29(17-24)38-37(26(3)21-41-15-14-27-8-12-34-35(19-27)43-36(23-46)42-34)32-20-30(9-13-33(32)44-38)40(4,5)39(47)45-22-28-6-10-31(45)11-7-28/h8-9,12-13,16-20,26,28,31,41,44,46H,6-7,10-11,14-15,21-23H2,1-5H3,(H,42,43)/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090538 (1-[7-Chloro-3-(3,5-dimethyl-phenyl)-2-oxo-4-(2-pip...) Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(NC(=O)NC3CC3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C28H33ClN4O3/c1-16-11-17(2)13-18(12-16)25-26(36-10-8-19-5-3-4-9-30-19)21-14-24(33-28(35)31-20-6-7-20)22(29)15-23(21)32-27(25)34/h11-15,19-20,30H,3-10H2,1-2H3,(H,32,34)(H2,31,33,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Compound was evaluated for its antagonism in rat primary pituitary cell assay (rLH)				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110622 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCc1cnc2nccnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:29:31:36.37:33.34| Show InChI InChI=1S/C39H46N6O/c1-24-17-25(2)19-28(18-24)36-35(26(3)22-40-14-6-7-27-20-34-37(43-23-27)42-16-15-41-34)32-21-29(8-13-33(32)44-36)39(4,5)38(46)45-30-9-10-31(45)12-11-30/h8,13,15-21,23,26,30-31,40,44H,6-7,9-12,14,22H2,1-5H3/t26-,30?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110612 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES C[C@H](CNCCc1ccc2nc([nH]c2c1)C(F)(F)F)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(4.55,1.53,;4.55,-.22,;6.06,-1.1,;7.58,-.22,;9.09,-1.1,;10.62,-.22,;12.11,-1.12,;12.14,-2.88,;13.65,-3.73,;15.14,-2.85,;16.8,-3.38,;17.82,-1.97,;16.81,-.57,;15.14,-1.1,;13.63,-.22,;19.57,-1.97,;21.51,-1.91,;19.54,-3.57,;19.54,.02,;3.04,-1.1,;3.05,-2.64,;1.73,-3.41,;.41,-2.64,;-.9,-3.43,;-2.23,-2.69,;-2.25,-1.15,;-.93,-.38,;.4,-1.12,;-3.58,-.38,;-2.81,.95,;-4.67,.71,;-4.9,-1.15,;-4.88,-2.69,;-6.23,-.41,;-5.31,.87,;-7.08,1.93,;-7.08,3.18,;-8.02,2.22,;-8.02,.68,;-9.89,-.33,;-9.02,1.05,;4.38,-3.38,;5.69,-2.61,;7.02,-3.35,;8.34,-2.56,;7.04,-4.89,;5.72,-5.66,;5.73,-7.2,;4.39,-4.92,)| Show InChI InChI=1S/C40H46F3N5O/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-44-15-14-26-8-12-33-34(19-26)47-37(46-33)40(41,42)43)31-20-29(9-13-32(31)45-36)39(4,5)38(49)48-22-27-6-10-30(48)11-7-27/h8-9,12-13,16-20,25,27,30,44-45H,6-7,10-11,14-15,21-22H2,1-5H3,(H,46,47)/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110603 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCc1cccc2cnccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:29:31:36.37:33.34| Show InChI InChI=1S/C41H48N4O/c1-26-20-27(2)22-31(21-26)39-38(28(3)24-42-18-7-10-29-8-6-9-30-25-43-19-17-35(29)30)36-23-32(11-16-37(36)44-39)41(4,5)40(46)45-33-12-13-34(45)15-14-33/h6,8-9,11,16-17,19-23,25,28,33-34,42,44H,7,10,12-15,18,24H2,1-5H3/t28-,33?,34?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50090554 (7-Chloro-3-(3,5-dimethyl-phenyl)-2-oxo-4-(2-piperi...) Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(C(=O)Nc3cnccn3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C29H30ClN5O3/c1-17-11-18(2)13-19(12-17)26-27(38-10-6-20-5-3-4-7-32-20)22-14-21(23(30)15-24(22)34-29(26)37)28(36)35-25-16-31-8-9-33-25/h8-9,11-16,20,32H,3-7,10H2,1-2H3,(H,34,37)(H,33,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50204183 (5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-d...) Show SMILES Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-10-17(28)9-18(29)11-19)31-23(21)20-6-5-16(26)8-22(20)27/h1-11H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 2031-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.005 BindingDB Entry DOI: 10.7270/Q27944BJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50496760 (CHEMBL3222119) Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20| Show InChI InChI=1S/C23H32N4O4S/c1-32(30,31)27-8-6-26(7-9-27)21(28)19-2-4-20(5-3-19)24-22(29)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-5,16-18H,6-15H2,1H3,(H2,24,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...				Medchemcomm 379-384 (2012) Article DOI: 10.1039/c2md00288d BindingDB Entry DOI: 10.7270/Q2JD50RG
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50333051 (1-Adamantan-1-yl-3-{3-[4-(4-methanesulfonyl-pipera...) Show SMILES CS(=O)(=O)N1CCN(CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:21:22:25:29.27.28,30:28:25:31.22.23,30:22:25:29.27.28,27:26:23:29.28.30,27:28:25.26.31:23| Show InChI InChI=1S/C26H40N4O4S/c1-35(32,33)30-10-8-29(9-11-30)7-2-3-12-34-24-6-4-5-23(16-24)27-25(31)28-26-17-20-13-21(18-26)15-22(14-20)19-26/h4-6,16,20-22H,2-3,7-15,17-19H2,1H3,(H2,27,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus expression system by fluorimetric assay				J Med Chem 53: 8376-8386 (2010) Article DOI: 10.1021/jm101087u BindingDB Entry DOI: 10.7270/Q2D79BNT
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50098391 ((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...) Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/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 Functional antagonism at the human GnRH receptor (PI turnover)				J Med Chem 44: 917-22 (2001) BindingDB Entry DOI: 10.7270/Q2H70F3D
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50090583 (7-Chloro-3-(3,4-dichloro-phenyl)-2-oxo-4-((S)-2-pi...) Show SMILES Clc1ccc(cc1Cl)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C27H24Cl3N5O3/c28-19-5-4-15(11-21(19)30)24-25(38-10-7-16-3-1-2-8-32-16)18-12-17(20(29)13-22(18)34-27(24)37)26(36)35-23-6-9-31-14-33-23/h4-6,9,11-14,16,32H,1-3,7-8,10H2,(H,34,37)(H,31,33,35,36)/t16-/m0/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 Inhibition of recombinant human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090538 (1-[7-Chloro-3-(3,5-dimethyl-phenyl)-2-oxo-4-(2-pip...) Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(NC(=O)NC3CC3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C28H33ClN4O3/c1-16-11-17(2)13-18(12-16)25-26(36-10-8-19-5-3-4-9-30-19)21-14-24(33-28(35)31-20-6-7-20)22(29)15-23(21)32-27(25)34/h11-15,19-20,30H,3-10H2,1-2H3,(H,32,34)(H2,31,33,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against rat pituitary Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
					More data for this Ligand-Target Pair

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