Compile Data Set for Download or QSAR

Found 2358 hits with Last Name = 'dong' and Initial = 'q'   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50285024 (3-[3-(4-Carbamimidoyl-benzoylamino)-propionylamino...) Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H27N5O8/c25-21(26)14-3-5-15(6-4-14)22(34)27-10-9-19(31)28-17(12-20(32)33)23(35)29-18(24(36)37)11-13-1-7-16(30)8-2-13/h1-8,17-18,30H,9-12H2,(H3,25,26)(H,27,34)(H,28,31)(H,29,35)(H,32,33)(H,36,37)/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-SKF-107260 from alpha IIb beta3 integrin				Bioorg Med Chem Lett 5: 1941-1946 (1995) Article DOI: 10.1016/0960-894X(95)00329-R BindingDB Entry DOI: 10.7270/Q2Z60P2J
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50285023 ((R)-3-[3-(4-Carbamimidoyl-benzoylamino)-propionyla...) Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C26H28N6O7/c27-23(28)14-5-7-15(8-6-14)24(36)29-10-9-21(33)31-19(12-22(34)35)25(37)32-20(26(38)39)11-16-13-30-18-4-2-1-3-17(16)18/h1-8,13,19-20,30H,9-12H2,(H3,27,28)(H,29,36)(H,31,33)(H,32,37)(H,34,35)(H,38,39)/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-SKF-107260 from alpha IIb beta3 integrin				Bioorg Med Chem Lett 5: 1941-1946 (1995) Article DOI: 10.1016/0960-894X(95)00329-R BindingDB Entry DOI: 10.7270/Q2Z60P2J
					More data for this Ligand-Target Pair
4-hydroxy-tetrahydrodipicolinate reductase (Escherichia coli)	BDBM59098 (Bi-ligand, 1) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
Quinone-dependent D-lactate dehydrogenase (Escherichia coli)	BDBM59099 (Bi-ligand, 2) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O Show InChI InChI=1S/C22H20Cl2N2O4S2/c23-15-6-4-14(9-16(15)24)12-25-20(29)3-1-2-8-26-21(30)19(32-22(26)31)11-13-5-7-17(27)18(28)10-13/h4-7,9-11,27-28H,1-3,8,12H2,(H,25,29)/b19-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
4-hydroxy-tetrahydrodipicolinate reductase (Escherichia coli)	BDBM59101 (Bi-ligand, 4) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O Show InChI InChI=1S/C21H17N3O8S3/c25-14-2-1-10(5-15(14)26)6-16-18(28)24(21(33)35-16)9-17(27)22-3-4-34-11-7-12(19(29)30)23-13(8-11)20(31)32/h1-2,5-8,25-26H,3-4,9H2,(H,22,27)(H,29,30)(H,31,32)/p-2/b16-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM59100 (Bi-ligand, 3) Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1 Show InChI InChI=1S/C25H20N2O5S2/c1-15-2-7-18(8-3-15)32-19-9-5-17(6-10-19)26-23(30)14-27-24(31)22(34-25(27)33)13-16-4-11-20(28)21(29)12-16/h2-13,28-29H,14H2,1H3,(H,26,30)/b22-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	202	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
Quinone-dependent D-lactate dehydrogenase (Escherichia coli)	BDBM59101 (Bi-ligand, 4) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O Show InChI InChI=1S/C21H17N3O8S3/c25-14-2-1-10(5-15(14)26)6-16-18(28)24(21(33)35-16)9-17(27)22-3-4-34-11-7-12(19(29)30)23-13(8-11)20(31)32/h1-2,5-8,25-26H,3-4,9H2,(H,22,27)(H,29,30)(H,31,32)/p-2/b16-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM59101 (Bi-ligand, 4) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O Show InChI InChI=1S/C21H17N3O8S3/c25-14-2-1-10(5-15(14)26)6-16-18(28)24(21(33)35-16)9-17(27)22-3-4-34-11-7-12(19(29)30)23-13(8-11)20(31)32/h1-2,5-8,25-26H,3-4,9H2,(H,22,27)(H,29,30)(H,31,32)/p-2/b16-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM59099 (Bi-ligand, 2) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O Show InChI InChI=1S/C22H20Cl2N2O4S2/c23-15-6-4-14(9-16(15)24)12-25-20(29)3-1-2-8-26-21(30)19(32-22(26)31)11-13-5-7-17(27)18(28)10-13/h4-7,9-11,27-28H,1-3,8,12H2,(H,25,29)/b19-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
Quinone-dependent D-lactate dehydrogenase (Escherichia coli)	BDBM59100 (Bi-ligand, 3) Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1 Show InChI InChI=1S/C25H20N2O5S2/c1-15-2-7-18(8-3-15)32-19-9-5-17(6-10-19)26-23(30)14-27-24(31)22(34-25(27)33)13-16-4-11-20(28)21(29)12-16/h2-13,28-29H,14H2,1H3,(H,26,30)/b22-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
4-hydroxy-tetrahydrodipicolinate reductase (Escherichia coli)	BDBM59100 (Bi-ligand, 3) Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1 Show InChI InChI=1S/C25H20N2O5S2/c1-15-2-7-18(8-3-15)32-19-9-5-17(6-10-19)26-23(30)14-27-24(31)22(34-25(27)33)13-16-4-11-20(28)21(29)12-16/h2-13,28-29H,14H2,1H3,(H,26,30)/b22-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
4-hydroxy-tetrahydrodipicolinate reductase (Escherichia coli)	BDBM59099 (Bi-ligand, 2) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O Show InChI InChI=1S/C22H20Cl2N2O4S2/c23-15-6-4-14(9-16(15)24)12-25-20(29)3-1-2-8-26-21(30)19(32-22(26)31)11-13-5-7-17(27)18(28)10-13/h4-7,9-11,27-28H,1-3,8,12H2,(H,25,29)/b19-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM59098 (Bi-ligand, 1) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
Quinone-dependent D-lactate dehydrogenase (Escherichia coli)	BDBM59098 (Bi-ligand, 1) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM405268 (1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...) Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-9.14,-2.67,;-8.37,-1.33,;-6.83,-1.33,;-6.06,-2.67,;-6.06,,;-4.52,,;-3.75,-1.33,;-2.21,-1.33,;-1.44,,;-2.21,1.33,;-3.75,1.33,;.1,,;1.01,-1.25,;2.47,-.77,;3.8,-1.54,;3.8,-3.08,;5.14,-3.85,;6.47,-3.08,;7.81,-2.31,;7.81,-3.85,;7.81,-5.39,;6.47,-6.16,;5.14,-5.39,;3.8,-6.16,;5.14,-.77,;6.47,-1.54,;5.14,.77,;6.47,1.54,;7.81,.77,;9.14,1.54,;9.14,3.08,;7.81,3.85,;7.81,5.39,;6.47,6.16,;6.47,3.08,;5.14,3.85,;3.8,1.54,;3.8,3.08,;2.47,.77,;1.01,1.25,;.61,2.73,;-.88,3.13,;-1.28,4.62,;-1.97,2.04,)| Show InChI InChI=1S/C30H28F3N7O4/c1-34-29(42)35-17-11-13-18(14-12-17)40-23(16-37(2)3)25-27(36-40)38(15-19-20(31)7-5-8-21(19)32)30(43)39(28(25)41)22-9-6-10-24(44-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,34,35,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd US Patent					Assay Description Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...				US Patent US10344034 (2019) BindingDB Entry DOI: 10.7270/Q29Z978Z
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM439612 (1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-9.14,-2.67,;-8.37,-1.33,;-6.83,-1.33,;-6.06,-2.67,;-6.06,,;-4.52,,;-3.75,-1.33,;-2.21,-1.33,;-1.44,,;-2.21,1.33,;-3.75,1.33,;.1,,;1.01,-1.25,;2.47,-.77,;3.8,-1.54,;3.8,-3.08,;5.14,-3.85,;6.47,-3.08,;7.81,-2.31,;7.81,-3.85,;7.81,-5.39,;6.47,-6.16,;5.14,-5.39,;3.8,-6.16,;5.14,-.77,;6.47,-1.54,;5.14,.77,;6.47,1.54,;7.81,.77,;9.14,1.54,;9.14,3.08,;7.81,3.85,;7.81,5.39,;6.47,6.16,;6.47,3.08,;5.14,3.85,;3.8,1.54,;3.8,3.08,;2.47,.77,;1.01,1.25,;.53,2.71,;-.98,3.03,;-1.45,4.5,;-2.01,1.89,)| Show InChI InChI=1S/C31H29F3N6O4/c1-35-30(42)36-19-13-11-18(12-14-19)20-16-38-28(21(20)15-37(2)3)29(41)40(25-9-6-10-26(44-4)27(25)34)31(43)39(38)17-22-23(32)7-5-8-24(22)33/h5-14,16H,15,17H2,1-4H3,(H2,35,36,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., ltd.; Jiangsu Hangrui Medicine Co., Ltd. US Patent					Assay Description In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...				US Patent US10633388 (2020) BindingDB Entry DOI: 10.7270/Q2F76GM6
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 5 Isoform 2 (Homo sapiens (Human))	BDBM605909 (US11680056, Example 53A | US11680056, Example 53B) Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(.62,-29.88,;1.96,-30.65,;3.29,-29.88,;4.62,-30.65,;4.62,-32.19,;3.29,-32.96,;3.29,-34.5,;1.96,-32.19,;.62,-32.96,;.62,-34.5,;1.96,-35.27,;-.71,-35.27,;-2.04,-34.5,;-3.38,-35.27,;-4.71,-34.5,;-6.05,-35.27,;-7.38,-34.5,;-8.71,-35.27,;-8.71,-36.81,;-10.05,-37.58,;-7.38,-37.58,;-6.05,-36.81,;-4.71,-37.58,;-2.04,-32.96,;-3.38,-32.19,;-.71,-32.19,;-.71,-30.65,;5.96,-32.96,;5.96,-34.5,;7.29,-35.27,;8.62,-34.5,;8.62,-32.96,;7.29,-32.19,;9.96,-32.19,;9.96,-30.65,;11.29,-32.96,;11.29,-31.42,)| Show InChI	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.126	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q29G5RXB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260478 (US10428074, Example 125 | US9527851, 125 | US95278...) Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.3	27
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2HD7TM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260459 (US10428074, Example 17 | US9527851, 17 | US9527851...) Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.3	27
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2HD7TM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260478 (US10428074, Example 125 | US9527851, 125 | US95278...) Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.3	27
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2HD7TM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260478 (US10428074, Example 125 | US9527851, 125 | US95278...) Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description JAK1: In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The...				US Patent US10428074 (2019) BindingDB Entry DOI: 10.7270/Q26D5WC6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260478 (US10428074, Example 125 | US9527851, 125 | US95278...) Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description JAK1: In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The...				US Patent US10428074 (2019) BindingDB Entry DOI: 10.7270/Q26D5WC6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260459 (US10428074, Example 17 | US9527851, 17 | US9527851...) Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description JAK1: In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The...				US Patent US10428074 (2019) BindingDB Entry DOI: 10.7270/Q26D5WC6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260478 (US10428074, Example 125 | US9527851, 125 | US95278...) Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.3	25
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2D21VRM
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 5 Isoform 2 (Homo sapiens (Human))	BDBM605939 (US11680056, Example 68B) Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(-2.73,15.37,;-1.4,14.6,;-.07,15.37,;1.27,14.6,;1.27,13.06,;-.07,12.29,;-.07,10.75,;-1.4,13.06,;-2.73,12.29,;-2.73,10.75,;-1.4,9.98,;-4.07,9.98,;-5.4,10.75,;-6.73,9.98,;-8.07,10.75,;-9.4,9.98,;-10.73,10.75,;-12.07,9.98,;-12.07,8.44,;-13.4,7.67,;-10.73,7.67,;-9.4,8.44,;-8.07,7.67,;-5.4,12.29,;-6.73,13.06,;-4.07,13.06,;-4.07,14.6,;2.6,12.29,;3.93,13.06,;2.6,10.75,;2.6,13.83,)| Show InChI	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q29G5RXB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260459 (US10428074, Example 17 | US9527851, 17 | US9527851...) Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.3	25
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2D21VRM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260478 (US10428074, Example 125 | US9527851, 125 | US95278...) Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.3	25
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2D21VRM
					More data for this Ligand-Target Pair
G_PROTEIN_RECEP_F1_2 domain-containing protein (Oryctolagus cuniculus (Rabbit))	BDBM405272 (1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...) Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd US Patent					Assay Description Rabbit: This assay was used to determine the inhibition effect of the present compounds on the activity of rabbit GnRHr protein expressed by rabbit G...				US Patent US10344034 (2019) BindingDB Entry DOI: 10.7270/Q29Z978Z
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone II receptor (Green monkey)	BDBM405272 (1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...) Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., ltd.; Jiangsu Hangrui Medicine Co., Ltd. US Patent					Assay Description In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...				US Patent US10633388 (2020) BindingDB Entry DOI: 10.7270/Q2F76GM6
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rabbit)	BDBM405272 (1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...) Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., ltd.; Jiangsu Hangrui Medicine Co., Ltd. US Patent					Assay Description In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...				US Patent US10633388 (2020) BindingDB Entry DOI: 10.7270/Q2F76GM6
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rabbit)	BDBM405271 (1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...) Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-9.14,-1.9,;-8.37,-.56,;-6.83,-.56,;-6.06,-1.9,;-6.06,.77,;-4.52,.77,;-3.75,-.56,;-2.21,-.56,;-1.44,.77,;-2.21,2.1,;-3.75,2.1,;.1,.77,;1.01,-.48,;2.47,,;3.8,-.77,;3.8,-2.31,;5.14,-3.08,;6.47,-2.31,;7.81,-1.54,;7.81,-3.08,;7.81,-4.62,;6.47,-5.39,;5.14,-4.62,;3.8,-5.39,;2.47,-4.62,;3.8,-6.93,;5.14,-6.16,;5.14,,;6.47,-.77,;5.14,1.54,;6.47,2.31,;7.81,1.54,;9.14,2.31,;9.14,3.85,;7.81,4.62,;7.81,6.16,;6.47,6.93,;6.47,3.85,;5.14,4.62,;3.8,2.31,;3.8,3.85,;2.47,1.54,;1.01,2.02,;.61,3.5,;-.88,3.9,;-1.28,5.39,;-1.97,2.81,)| Show InChI InChI=1S/C31H28F5N7O4/c1-37-29(45)38-17-11-13-18(14-12-17)43-23(16-40(2)3)25-27(39-43)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,38,45)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., ltd.; Jiangsu Hangrui Medicine Co., Ltd. US Patent					Assay Description In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...				US Patent US10633388 (2020) BindingDB Entry DOI: 10.7270/Q2F76GM6
					More data for this Ligand-Target Pair
G_PROTEIN_RECEP_F1_2 domain-containing protein (Oryctolagus cuniculus (Rabbit))	BDBM405271 (1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...) Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-9.14,-1.9,;-8.37,-.56,;-6.83,-.56,;-6.06,-1.9,;-6.06,.77,;-4.52,.77,;-3.75,-.56,;-2.21,-.56,;-1.44,.77,;-2.21,2.1,;-3.75,2.1,;.1,.77,;1.01,-.48,;2.47,,;3.8,-.77,;3.8,-2.31,;5.14,-3.08,;6.47,-2.31,;7.81,-1.54,;7.81,-3.08,;7.81,-4.62,;6.47,-5.39,;5.14,-4.62,;3.8,-5.39,;2.47,-4.62,;3.8,-6.93,;5.14,-6.16,;5.14,,;6.47,-.77,;5.14,1.54,;6.47,2.31,;7.81,1.54,;9.14,2.31,;9.14,3.85,;7.81,4.62,;7.81,6.16,;6.47,6.93,;6.47,3.85,;5.14,4.62,;3.8,2.31,;3.8,3.85,;2.47,1.54,;1.01,2.02,;.61,3.5,;-.88,3.9,;-1.28,5.39,;-1.97,2.81,)| Show InChI InChI=1S/C31H28F5N7O4/c1-37-29(45)38-17-11-13-18(14-12-17)43-23(16-40(2)3)25-27(39-43)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-4)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,38,45)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd US Patent					Assay Description Rabbit: This assay was used to determine the inhibition effect of the present compounds on the activity of rabbit GnRHr protein expressed by rabbit G...				US Patent US10344034 (2019) BindingDB Entry DOI: 10.7270/Q29Z978Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM260459 (US10428074, Example 17 | US9527851, 17 | US9527851...) Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.3	25
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK3 kinase. The te...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2D21VRM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM260459 (US10428074, Example 17 | US9527851, 17 | US9527851...) Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description JAK3: In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK3 kinase. The...				US Patent US10428074 (2019) BindingDB Entry DOI: 10.7270/Q26D5WC6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM415495 (US10428074, Example 99) Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(OCC(C)(C)O)ns1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description JAK1: In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The...				US Patent US10428074 (2019) BindingDB Entry DOI: 10.7270/Q26D5WC6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM260459 (US10428074, Example 17 | US9527851, 17 | US9527851...) Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.3	27
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK3 kinase. The test ...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2HD7TM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM202489 (US9527851, example 99) Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Oc1nc(OCC(C)(C)O)ns1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.3	25
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2D21VRM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260502 (US9527851, 99) Show SMILES CN(C1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(OCC(C)(C)O)ns1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.3	27
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2HD7TM2
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 5 Isoform 2 (Homo sapiens (Human))	BDBM605929 (US11680056, Example 63B) Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(-2.79,25.44,;-1.45,24.67,;-.12,25.44,;1.22,24.67,;1.22,23.13,;-.12,22.36,;-.12,20.82,;-1.45,23.13,;-2.79,22.36,;-2.79,20.82,;-1.45,20.06,;-4.12,20.06,;-5.45,20.82,;-6.79,20.06,;-8.12,20.82,;-9.45,20.06,;-10.79,20.82,;-12.12,20.06,;-12.12,18.52,;-13.45,17.74,;-10.79,17.74,;-9.45,18.52,;-8.12,17.74,;-5.45,22.36,;-6.79,23.13,;-4.12,23.13,;-4.12,24.67,;2.55,22.36,;3.88,23.13,;2.55,20.82,;2.55,23.9,)| Show InChI	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q29G5RXB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM405272 (1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...) Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., ltd.; Jiangsu Hangrui Medicine Co., Ltd. US Patent					Assay Description In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...				US Patent US10633388 (2020) BindingDB Entry DOI: 10.7270/Q2F76GM6
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM405272 (1-(4-(7-(2,6-difluorobenzyl)-3-((dimethylamino)met...) Show SMILES CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nn3)c(=O)c2c1CN(C)C Show InChI InChI=1S/C28H27F2N9O4/c1-31-27(41)32-16-8-10-17(11-9-16)39-21(15-36(2)3)24-25(35-39)37(14-18-19(29)6-5-7-20(18)30)28(42)38(26(24)40)22-12-13-23(43-4)34-33-22/h5-13H,14-15H2,1-4H3,(H2,31,32,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd US Patent					Assay Description Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...				US Patent US10344034 (2019) BindingDB Entry DOI: 10.7270/Q29Z978Z
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM405278 (1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...) Show SMILES CONC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-9.91,-2.67,;-8.37,-2.67,;-7.6,-1.33,;-6.06,-1.33,;-5.29,-2.67,;-5.29,,;-3.75,,;-2.98,-1.33,;-1.44,-1.33,;-.67,,;-1.44,1.33,;-2.98,1.33,;.87,,;1.78,-1.25,;3.24,-.77,;4.57,-1.54,;4.57,-3.08,;3.24,-3.85,;1.91,-3.08,;1.91,-1.9,;.57,-3.85,;.57,-5.39,;1.91,-6.16,;3.24,-5.39,;4.57,-6.16,;5.91,-.77,;7.24,-1.54,;5.91,.77,;7.24,1.54,;8.58,.77,;9.91,1.54,;9.91,3.08,;8.58,3.85,;8.58,5.39,;7.24,6.16,;7.24,3.08,;5.91,3.85,;4.57,1.54,;4.57,3.08,;3.24,.77,;1.78,1.25,;1.38,2.73,;-.11,3.13,;-.51,4.62,;-1.2,2.04,)| Show InChI InChI=1S/C31H29F3N6O5/c1-37(2)15-21-20(18-11-13-19(14-12-18)35-30(42)36-45-4)16-38-28(21)29(41)40(25-9-6-10-26(44-3)27(25)34)31(43)39(38)17-22-23(32)7-5-8-24(22)33/h5-14,16H,15,17H2,1-4H3,(H2,35,36,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd US Patent					Assay Description Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...				US Patent US10344034 (2019) BindingDB Entry DOI: 10.7270/Q29Z978Z
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM405278 (1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)met...) Show SMILES CONC(=O)Nc1ccc(cc1)-c1cn2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-9.91,-2.67,;-8.37,-2.67,;-7.6,-1.33,;-6.06,-1.33,;-5.29,-2.67,;-5.29,,;-3.75,,;-2.98,-1.33,;-1.44,-1.33,;-.67,,;-1.44,1.33,;-2.98,1.33,;.87,,;1.78,-1.25,;3.24,-.77,;4.57,-1.54,;4.57,-3.08,;3.24,-3.85,;1.91,-3.08,;1.91,-1.9,;.57,-3.85,;.57,-5.39,;1.91,-6.16,;3.24,-5.39,;4.57,-6.16,;5.91,-.77,;7.24,-1.54,;5.91,.77,;7.24,1.54,;8.58,.77,;9.91,1.54,;9.91,3.08,;8.58,3.85,;8.58,5.39,;7.24,6.16,;7.24,3.08,;5.91,3.85,;4.57,1.54,;4.57,3.08,;3.24,.77,;1.78,1.25,;1.38,2.73,;-.11,3.13,;-.51,4.62,;-1.2,2.04,)| Show InChI InChI=1S/C31H29F3N6O5/c1-37(2)15-21-20(18-11-13-19(14-12-18)35-30(42)36-45-4)16-38-28(21)29(41)40(25-9-6-10-26(44-3)27(25)34)31(43)39(38)17-22-23(32)7-5-8-24(22)33/h5-14,16H,15,17H2,1-4H3,(H2,35,36,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., ltd.; Jiangsu Hangrui Medicine Co., Ltd. US Patent					Assay Description In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...				US Patent US10633388 (2020) BindingDB Entry DOI: 10.7270/Q2F76GM6
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM405270 (1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...) Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-4.13,4,;-4.9,2.67,;-6.44,2.67,;-7.21,1.33,;-8.75,1.33,;-6.44,,;-4.9,,;-4.13,-1.33,;-2.59,-1.33,;-1.82,,;-2.59,1.33,;-4.13,1.33,;-.28,,;.62,-1.25,;2.09,-.77,;3.42,-1.54,;3.42,-3.08,;4.75,-3.85,;6.09,-3.08,;7.42,-2.31,;7.42,-3.85,;7.42,-5.39,;6.09,-6.16,;4.75,-5.39,;3.42,-6.16,;2.09,-5.39,;3.42,-7.7,;2.09,-6.93,;4.75,-.77,;6.09,-1.54,;4.75,.77,;6.09,1.54,;7.42,.77,;8.75,1.54,;8.75,3.08,;7.42,3.85,;7.42,5.39,;8.75,6.16,;6.09,3.08,;4.75,3.85,;3.42,1.54,;3.42,3.08,;2.09,.77,;.62,1.25,;.22,2.73,;1.31,3.82,;.91,5.31,;2.8,4.22,)| Show InChI InChI=1S/C31H28F5N7O5/c1-40(2)16-23-25-27(38-43(23)18-13-11-17(12-14-18)37-29(45)39-48-4)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-3)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,39,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., ltd.; Jiangsu Hangrui Medicine Co., Ltd. US Patent					Assay Description In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on...				US Patent US10633388 (2020) BindingDB Entry DOI: 10.7270/Q2F76GM6
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM405270 (1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-meth...) Show SMILES CONC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-4.13,4,;-4.9,2.67,;-6.44,2.67,;-7.21,1.33,;-8.75,1.33,;-6.44,,;-4.9,,;-4.13,-1.33,;-2.59,-1.33,;-1.82,,;-2.59,1.33,;-4.13,1.33,;-.28,,;.62,-1.25,;2.09,-.77,;3.42,-1.54,;3.42,-3.08,;4.75,-3.85,;6.09,-3.08,;7.42,-2.31,;7.42,-3.85,;7.42,-5.39,;6.09,-6.16,;4.75,-5.39,;3.42,-6.16,;2.09,-5.39,;3.42,-7.7,;2.09,-6.93,;4.75,-.77,;6.09,-1.54,;4.75,.77,;6.09,1.54,;7.42,.77,;8.75,1.54,;8.75,3.08,;7.42,3.85,;7.42,5.39,;8.75,6.16,;6.09,3.08,;4.75,3.85,;3.42,1.54,;3.42,3.08,;2.09,.77,;.62,1.25,;.22,2.73,;1.31,3.82,;.91,5.31,;2.8,4.22,)| Show InChI InChI=1S/C31H28F5N7O5/c1-40(2)16-23-25-27(38-43(23)18-13-11-17(12-14-18)37-29(45)39-48-4)41(15-19-20(31(34,35)36)7-5-8-21(19)32)30(46)42(28(25)44)22-9-6-10-24(47-3)26(22)33/h5-14H,15-16H2,1-4H3,(H2,37,39,45)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd US Patent					Assay Description Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the followin...				US Patent US10344034 (2019) BindingDB Entry DOI: 10.7270/Q29Z978Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM202338 ((3ar,5s,6as)-n-(3-(hydroxymethyl)-1,2,4-thiadiazol...) Show SMILES COC(=O)c1nsc(NC(=O)N2C[C@@H]3CC(C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.3	25
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2D21VRM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204291 (CHEMBL3953104 | US20230295171, Example 76) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3CNC(=O)c23)c1 |r| Show InChI InChI=1S/C21H24N6O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-21(18)28)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,16-17H,2-3,7-8,11,23H2,1H3,(H,24,28)(H2,25,26,27)/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM260479 (US9527851, 50) Show SMILES CN(C1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(CO)ns1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.3	27
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...				US Patent US9527851 (2016) BindingDB Entry DOI: 10.7270/Q2HD7TM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM415473 ((3aR,5S,6aS)?N-(3-(Hydroxymethyl)-1,2,4-thiadiazol...) Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(CO)ns1)c1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description JAK1: In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The...				US Patent US10428074 (2019) BindingDB Entry DOI: 10.7270/Q26D5WC6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204291 (CHEMBL3953104 | US20230295171, Example 76) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3CNC(=O)c23)c1 |r| Show InChI InChI=1S/C21H24N6O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-21(18)28)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,16-17H,2-3,7-8,11,23H2,1H3,(H,24,28)(H2,25,26,27)/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2358 total )  |  Next  |  Last  >>

Jump to: