Compile Data Set for Download or QSAR

Found 3127 hits with Last Name = 'jin' and Initial = 't'   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393757 (CHEMBL2159143) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C17H20N6/c1-12-21-15-11-20-17-14(3-7-19-17)16(15)23(12)13-4-9-22(10-5-13)8-2-6-18/h3,7,11,13H,2,4-5,8-10H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50526945 (CHEMBL4473806) Show SMILES ON(C(=O)SC[C@H](NC(=O)CC[C@H](NC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCCCCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C78H112Cl2N20O30S2/c79-47-7-11-49(12-8-47)99(129)77(127)131-45-53(73(121)93-43-71(117)118)97-67(113)17-15-51(75(123)124)95-69(115)29-41-91-65(111)27-39-89-63(109)25-37-87-61(107)23-35-85-59(105)21-33-83-57(103)19-31-81-55(101)5-3-1-2-4-6-56(102)82-32-20-58(104)84-34-22-60(106)86-36-24-62(108)88-38-26-64(110)90-40-28-66(112)92-42-30-70(116)96-52(76(125)126)16-18-68(114)98-54(74(122)94-44-72(119)120)46-132-78(128)100(130)50-13-9-48(80)10-14-50/h7-14,51-54,129-130H,1-6,15-46H2,(H,81,101)(H,82,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,108)(H,89,109)(H,90,110)(H,91,111)(H,92,112)(H,93,121)(H,94,122)(H,95,115)(H,96,116)(H,97,113)(H,98,114)(H,117,118)(H,119,120)(H,123,124)(H,125,126)/t51-,52-,53-,54-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Competitive inhibition of human Glyoxalase-1 using GSH and MGO as substrate by Michaelis-Menten analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 BindingDB Entry DOI: 10.7270/Q2Z60SG5
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50526943 (CHEMBL4436073) Show SMILES N[C@@H](CCC(=O)N[C@@H](CCC(=O)N(O)c1cccc(c1)C#C)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H24N4O8/c1-2-12-4-3-5-13(10-12)24(32)17(26)9-7-15(19(29)22-11-18(27)28)23-16(25)8-6-14(21)20(30)31/h1,3-5,10,14-15,32H,6-9,11,21H2,(H,22,29)(H,23,25)(H,27,28)(H,30,31)/t14-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Competitive inhibition of human Glyoxalase-1 using GSH and MGO as substrate				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 BindingDB Entry DOI: 10.7270/Q2Z60SG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of human Glyoxalase-1 using GSH and MGO as substrate by Dixon plot analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 BindingDB Entry DOI: 10.7270/Q2Z60SG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393753 (CHEMBL2159202) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCNC[C@H]1F |r| Show InChI InChI=1S/C14H16FN5/c1-8-19-11-7-18-14-9(2-5-17-14)13(11)20(8)12-3-4-16-6-10(12)15/h2,5,7,10,12,16H,3-4,6H2,1H3,(H,17,18)/t10-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393756 (CHEMBL2159198) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H18N4/c1-10-18-13-9-17-15-12(7-8-16-15)14(13)19(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393739 (CHEMBL2159142) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H23N5/c1-15-24-19-13-23-21-18(7-10-22-21)20(19)26(15)17-8-11-25(12-9-17)14-16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393750 (CHEMBL2159205) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCCC#N |r,wU:16.22,wD:13.15,(11.06,-.77,;11.78,-2.13,;11.1,-3.52,;12.21,-4.59,;12.16,-6.13,;13.46,-6.94,;14.82,-6.22,;16.27,-6.76,;17.22,-5.54,;16.36,-4.26,;14.88,-4.68,;13.57,-3.87,;13.31,-2.35,;14.65,-1.58,;15.98,-2.35,;17.31,-1.58,;17.31,-.04,;15.98,.73,;14.64,-.04,;18.65,.73,;18.64,2.27,;17.31,3.04,;17.31,4.58,;17.31,6.12,)| Show InChI InChI=1S/C18H22N6/c1-12-23-16-11-22-18-15(7-10-21-18)17(16)24(12)14-5-3-13(4-6-14)20-9-2-8-19/h7,10-11,13-14,20H,2-6,9H2,1H3,(H,21,22)/t13-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393744 (CHEMBL2159210) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(5-6-16-15)14(13)19(9)10-3-2-4-11(20)7-10/h5-6,8,10-11,20H,2-4,7H2,1H3,(H,16,17)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393751 (CHEMBL2159204) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1(F)F Show InChI InChI=1S/C14H15F2N5/c1-8-20-10-6-19-13-9(2-5-18-13)12(10)21(8)11-3-4-17-7-14(11,15)16/h2,5-6,11,17H,3-4,7H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393757 (CHEMBL2159143) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C17H20N6/c1-12-21-15-11-20-17-14(3-7-19-17)16(15)23(12)13-4-9-22(10-5-13)8-2-6-18/h3,7,11,13H,2,4-5,8-10H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393747 (CHEMBL2159208) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(17.33,-10.61,;15.8,-10.54,;14.97,-11.83,;13.43,-11.76,;15.74,-13.16,;14.98,-14.5,;15.73,-15.84,;14.96,-17.17,;13.42,-17.16,;12.65,-15.81,;13.44,-14.49,;12.63,-18.48,;11.09,-18.35,;10.3,-17.03,;10.49,-19.77,;11.66,-20.78,;11.69,-22.31,;13.03,-23.07,;14.35,-22.27,;15.82,-22.72,;16.71,-21.46,;15.78,-20.23,;14.32,-20.73,;12.97,-19.98,)| Show InChI InChI=1S/C17H21N5O2/c1-10-20-14-9-19-16-13(7-8-18-16)15(14)22(10)12-5-3-11(4-6-12)21-17(23)24-2/h7-9,11-12H,3-6H2,1-2H3,(H,18,19)(H,21,23)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393754 (CHEMBL2159200) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1 |r| Show InChI InChI=1S/C14H16N4O/c1-9-17-12-7-16-14-11(4-5-15-14)13(12)18(9)10-3-2-6-19-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393739 (CHEMBL2159142) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H23N5/c1-15-24-19-13-23-21-18(7-10-22-21)20(19)26(15)17-8-11-25(12-9-17)14-16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK3 kinase domain using N-terminal 5-carboxyfluorescein-tagged Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393749 (CHEMBL2159206) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NS(C)(=O)=O |r,wU:16.22,wD:13.15,(26.65,-1.88,;27.4,-3.22,;26.74,-4.62,;27.86,-5.67,;27.83,-7.21,;29.15,-8.01,;30.5,-7.27,;31.96,-7.77,;32.88,-6.55,;32.01,-5.28,;30.53,-5.73,;29.21,-4.93,;28.93,-3.42,;29.74,-2.11,;31.28,-2.16,;32.09,-.84,;31.36,.51,;29.82,.56,;29.01,-.75,;32.17,1.82,;31.44,3.18,;32.26,4.49,;29.95,2.78,;30.35,4.28,)| Show InChI InChI=1S/C16H21N5O2S/c1-10-19-14-9-18-16-13(7-8-17-16)15(14)21(10)12-5-3-11(4-6-12)20-24(2,22)23/h7-9,11-12,20H,3-6H2,1-2H3,(H,17,18)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393742 (CHEMBL2159214) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C14H16N4O/c1-8-17-12-7-16-14-11(4-5-15-14)13(12)18(8)9-2-3-10(19)6-9/h4-5,7,9-10,19H,2-3,6H2,1H3,(H,15,16)/t9-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393756 (CHEMBL2159198) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H18N4/c1-10-18-13-9-17-15-12(7-8-16-15)14(13)19(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte Glyoxalase-1 using GSH and MGO as substrate by Dixon plot analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 BindingDB Entry DOI: 10.7270/Q2Z60SG5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393741 (CHEMBL2159215) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C14H16N4O/c1-8-17-12-7-16-14-11(4-5-15-14)13(12)18(8)9-2-3-10(19)6-9/h4-5,7,9-10,19H,2-3,6H2,1H3,(H,15,16)/t9-,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393746 (CHEMBL2159209) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1 |r,wU:16.19,wD:13.15,(24.47,-17.1,;25.29,-18.4,;24.72,-19.83,;25.91,-20.81,;25.96,-22.35,;27.33,-23.07,;28.63,-22.24,;30.11,-22.66,;30.96,-21.38,;30.01,-20.17,;28.57,-20.7,;27.2,-19.99,;26.83,-18.5,;27.62,-17.18,;29.17,-17.22,;29.97,-15.9,;29.23,-14.55,;30.02,-13.24,;27.69,-14.52,;26.88,-15.83,)| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)/t10-,11-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393748 (CHEMBL2159207) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3[nH]ccc3c12 |r,wU:4.3,wD:7.10,(.89,-9.34,;.16,-10.7,;-1.39,-10.74,;1.04,-11.96,;.38,-13.35,;1.11,-14.7,;.3,-16.02,;-1.24,-15.97,;-1.97,-14.62,;-1.16,-13.31,;-2.04,-17.29,;-3.58,-17.11,;-4.34,-15.77,;-4.22,-18.52,;-3.08,-19.56,;-3.09,-21.1,;-1.76,-21.88,;-.42,-21.11,;1.04,-21.61,;1.95,-20.37,;1.06,-19.11,;-.41,-19.58,;-1.74,-18.8,)| Show InChI InChI=1S/C17H21N5O/c1-10-20-15-9-19-17-14(7-8-18-17)16(15)22(10)13-5-3-12(4-6-13)21-11(2)23/h7-9,12-13H,3-6H2,1-2H3,(H,18,19)(H,21,23)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50393744 (CHEMBL2159210) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(5-6-16-15)14(13)19(9)10-3-2-4-11(20)7-10/h5-6,8,10-11,20H,2-4,7H2,1H3,(H,16,17)/t10-,11-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393753 (CHEMBL2159202) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCNC[C@H]1F |r| Show InChI InChI=1S/C14H16FN5/c1-8-19-11-7-18-14-9(2-5-17-14)13(11)20(8)12-3-4-16-6-10(12)15/h2,5,7,10,12,16H,3-4,6H2,1H3,(H,17,18)/t10-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393745 (CHEMBL2159212) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1 |r,wD:16.19,13.15,(-3.95,-29.28,;-3.18,-30.61,;-3.8,-32.02,;-2.66,-33.05,;-2.66,-34.59,;-1.32,-35.35,;.01,-34.58,;1.48,-35.05,;2.38,-33.81,;1.47,-32.56,;.01,-33.04,;-1.33,-32.27,;-1.64,-30.77,;-.81,-29.48,;-1.51,-28.11,;-.66,-26.82,;.88,-26.9,;1.71,-25.61,;1.57,-28.27,;.73,-29.56,)| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)/t10-,11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50526944 (CHEMBL4450158) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(cc1)C#C)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H22N4O8S/c1-2-11-3-5-12(6-4-11)23(31)19(30)32-10-14(17(27)21-9-16(25)26)22-15(24)8-7-13(20)18(28)29/h1,3-6,13-14,31H,7-10,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Competitive inhibition of human Glyoxalase-1 using GSH and MGO as substrate				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 BindingDB Entry DOI: 10.7270/Q2Z60SG5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393743 (CHEMBL2159211) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCC[C@@H](O)C1 |r| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(5-6-16-15)14(13)19(9)10-3-2-4-11(20)7-10/h5-6,8,10-11,20H,2-4,7H2,1H3,(H,16,17)/t10-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50296870 ((1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...) Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r| Show InChI InChI=1S/C34H47N3O3/c1-25(26-12-15-29(40-4)16-13-26)35-28-14-17-30(33(2,3)24-28)31(38)36-22-18-34(19-23-36,27-10-6-5-7-11-27)32(39)37-20-8-9-21-37/h5-7,10-13,15-16,25,28,30,35H,8-9,14,17-24H2,1-4H3/t25-,28-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting				Bioorg Med Chem Lett 19: 4781-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.050 BindingDB Entry DOI: 10.7270/Q2319VXR
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50296879 ((4,4-diphenylpiperidin-1-yl)((1R,4R)-4-((R)-1-(4-m...) Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1 |r| Show InChI InChI=1S/C35H44N2O2/c1-26(27-15-18-31(39-4)19-16-27)36-30-17-20-32(34(2,3)25-30)33(38)37-23-21-35(22-24-37,28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-16,18-19,26,30,32,36H,17,20-25H2,1-4H3/t26-,30-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting				Bioorg Med Chem Lett 19: 4781-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.050 BindingDB Entry DOI: 10.7270/Q2319VXR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393752 (CHEMBL2159203) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCNC[C@@H]1F |r| Show InChI InChI=1S/C14H16FN5/c1-8-19-11-7-18-14-9(2-5-17-14)13(11)20(8)12-3-4-16-6-10(12)15/h2,5,7,10,12,16H,3-4,6H2,1H3,(H,17,18)/t10-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393750 (CHEMBL2159205) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCCC#N |r,wU:16.22,wD:13.15,(11.06,-.77,;11.78,-2.13,;11.1,-3.52,;12.21,-4.59,;12.16,-6.13,;13.46,-6.94,;14.82,-6.22,;16.27,-6.76,;17.22,-5.54,;16.36,-4.26,;14.88,-4.68,;13.57,-3.87,;13.31,-2.35,;14.65,-1.58,;15.98,-2.35,;17.31,-1.58,;17.31,-.04,;15.98,.73,;14.64,-.04,;18.65,.73,;18.64,2.27,;17.31,3.04,;17.31,4.58,;17.31,6.12,)| Show InChI InChI=1S/C18H22N6/c1-12-23-16-11-22-18-15(7-10-21-18)17(16)24(12)14-5-3-13(4-6-14)20-9-2-8-19/h7,10-11,13-14,20H,2-6,9H2,1H3,(H,21,22)/t13-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50296884 ((1-((1R,4R)-2,2-dimethyl-4-((R)-1-p-tolylethylamin...) Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C34H47N3O2/c1-25-12-14-27(15-13-25)26(2)35-29-16-17-30(33(3,4)24-29)31(38)36-22-18-34(19-23-36,28-10-6-5-7-11-28)32(39)37-20-8-9-21-37/h5-7,10-15,26,29-30,35H,8-9,16-24H2,1-4H3/t26-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting				Bioorg Med Chem Lett 19: 4781-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.050 BindingDB Entry DOI: 10.7270/Q2319VXR
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50526942 (CHEMBL4438930) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(I)cc1)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C17H21IN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of human Glyoxalase-1				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 BindingDB Entry DOI: 10.7270/Q2Z60SG5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393740 (CHEMBL2159141) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1 Show InChI InChI=1S/C14H17N5/c1-9-18-12-8-17-14-11(4-7-16-14)13(12)19(9)10-2-5-15-6-3-10/h4,7-8,10,15H,2-3,5-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393751 (CHEMBL2159204) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1(F)F Show InChI InChI=1S/C14H15F2N5/c1-8-20-10-6-19-13-9(2-5-18-13)12(10)21(8)11-3-4-17-7-14(11,15)16/h2,5-6,11,17H,3-4,7H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393749 (CHEMBL2159206) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NS(C)(=O)=O |r,wU:16.22,wD:13.15,(26.65,-1.88,;27.4,-3.22,;26.74,-4.62,;27.86,-5.67,;27.83,-7.21,;29.15,-8.01,;30.5,-7.27,;31.96,-7.77,;32.88,-6.55,;32.01,-5.28,;30.53,-5.73,;29.21,-4.93,;28.93,-3.42,;29.74,-2.11,;31.28,-2.16,;32.09,-.84,;31.36,.51,;29.82,.56,;29.01,-.75,;32.17,1.82,;31.44,3.18,;32.26,4.49,;29.95,2.78,;30.35,4.28,)| Show InChI InChI=1S/C16H21N5O2S/c1-10-19-14-9-18-16-13(7-8-17-16)15(14)21(10)12-5-3-11(4-6-12)20-24(2,22)23/h7-9,11-12,20H,3-6H2,1-2H3,(H,17,18)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393754 (CHEMBL2159200) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1 |r| Show InChI InChI=1S/C14H16N4O/c1-9-17-12-7-16-14-11(4-5-15-14)13(12)18(9)10-3-2-6-19-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393744 (CHEMBL2159210) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(5-6-16-15)14(13)19(9)10-3-2-4-11(20)7-10/h5-6,8,10-11,20H,2-4,7H2,1H3,(H,16,17)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393747 (CHEMBL2159208) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(17.33,-10.61,;15.8,-10.54,;14.97,-11.83,;13.43,-11.76,;15.74,-13.16,;14.98,-14.5,;15.73,-15.84,;14.96,-17.17,;13.42,-17.16,;12.65,-15.81,;13.44,-14.49,;12.63,-18.48,;11.09,-18.35,;10.3,-17.03,;10.49,-19.77,;11.66,-20.78,;11.69,-22.31,;13.03,-23.07,;14.35,-22.27,;15.82,-22.72,;16.71,-21.46,;15.78,-20.23,;14.32,-20.73,;12.97,-19.98,)| Show InChI InChI=1S/C17H21N5O2/c1-10-20-14-9-19-16-13(7-8-18-16)15(14)22(10)12-5-3-11(4-6-12)21-17(23)24-2/h7-9,11-12H,3-6H2,1-2H3,(H,18,19)(H,21,23)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092826 ((2S)-2-amino-5-{[(1R)-1-[({[(4-bromophenyl)(hydrox...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte Glyoxalase-1				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 BindingDB Entry DOI: 10.7270/Q2Z60SG5
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50296885 (1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2...) Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N(C)C)c2ccccc2)C(C)(C)C1 |r| Show InChI InChI=1S/C32H45N3O3/c1-23(24-12-15-27(38-6)16-13-24)33-26-14-17-28(31(2,3)22-26)29(36)35-20-18-32(19-21-35,30(37)34(4)5)25-10-8-7-9-11-25/h7-13,15-16,23,26,28,33H,14,17-22H2,1-6H3/t23-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting				Bioorg Med Chem Lett 19: 4781-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.050 BindingDB Entry DOI: 10.7270/Q2319VXR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393748 (CHEMBL2159207) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3[nH]ccc3c12 |r,wU:4.3,wD:7.10,(.89,-9.34,;.16,-10.7,;-1.39,-10.74,;1.04,-11.96,;.38,-13.35,;1.11,-14.7,;.3,-16.02,;-1.24,-15.97,;-1.97,-14.62,;-1.16,-13.31,;-2.04,-17.29,;-3.58,-17.11,;-4.34,-15.77,;-4.22,-18.52,;-3.08,-19.56,;-3.09,-21.1,;-1.76,-21.88,;-.42,-21.11,;1.04,-21.61,;1.95,-20.37,;1.06,-19.11,;-.41,-19.58,;-1.74,-18.8,)| Show InChI InChI=1S/C17H21N5O/c1-10-20-15-9-19-17-14(7-8-18-17)16(15)22(10)13-5-3-12(4-6-13)21-11(2)23/h7-9,12-13H,3-6H2,1-2H3,(H,18,19)(H,21,23)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50296873 (1'-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...) Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1 |r| Show InChI InChI=1S/C34H47N3O3/c1-25(26-13-16-29(40-4)17-14-26)35-28-15-18-30(33(2,3)24-28)32(39)36-22-19-34(20-23-36,27-10-6-5-7-11-27)37-21-9-8-12-31(37)38/h5-7,10-11,13-14,16-17,25,28,30,35H,8-9,12,15,18-24H2,1-4H3/t25-,28-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting				Bioorg Med Chem Lett 19: 4781-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.050 BindingDB Entry DOI: 10.7270/Q2319VXR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393755 (CHEMBL2159199) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCOCC1 Show InChI InChI=1S/C14H16N4O/c1-9-17-12-8-16-14-11(2-5-15-14)13(12)18(9)10-3-6-19-7-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393745 (CHEMBL2159212) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1 |r,wD:16.19,13.15,(-3.95,-29.28,;-3.18,-30.61,;-3.8,-32.02,;-2.66,-33.05,;-2.66,-34.59,;-1.32,-35.35,;.01,-34.58,;1.48,-35.05,;2.38,-33.81,;1.47,-32.56,;.01,-33.04,;-1.33,-32.27,;-1.64,-30.77,;-.81,-29.48,;-1.51,-28.11,;-.66,-26.82,;.88,-26.9,;1.71,-25.61,;1.57,-28.27,;.73,-29.56,)| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)/t10-,11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50526948 (CHEMBL4559486) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1cccc(c1)C#C)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H22N4O8S/c1-2-11-4-3-5-12(8-11)23(31)19(30)32-10-14(17(27)21-9-16(25)26)22-15(24)7-6-13(20)18(28)29/h1,3-5,8,13-14,31H,6-7,9-10,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Competitive inhibition of human Glyoxalase-1 using GSH and MGO as substrate				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115243 BindingDB Entry DOI: 10.7270/Q2Z60SG5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393743 (CHEMBL2159211) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCC[C@@H](O)C1 |r| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(5-6-16-15)14(13)19(9)10-3-2-4-11(20)7-10/h5-6,8,10-11,20H,2-4,7H2,1H3,(H,16,17)/t10-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair

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