Compile Data Set for Download or QSAR

Found 694 hits of kd data for polymerid = 4917,4918   

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))	BDBM50586185 (CHEMBL5090416) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCN(CC2)c2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to JAK2 (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00650 BindingDB Entry DOI: 10.7270/Q2D79GBF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM477067 (US10882859, Example 2(a)) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C32H38FN7O2/c1-2-20-17-29(41)25(33)18-24(20)21-6-7-23-27(16-21)36-37-30(23)31-34-26-10-15-40(19-28(26)35-31)32(42)39-13-8-22(9-14-39)38-11-4-3-5-12-38/h6-7,16-18,22,41H,2-5,8-15,19H2,1H3,(H,34,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair
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	n/a	n/a	n/a	0.0360	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for JAK2(JH1domain-catalytic) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374723 ((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...) Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r| Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374723 ((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...) Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r| Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM477066 (US10882859, Example 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	0.0820	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	0.0820	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374726 ((7R,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374726 ((7R,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50586181 (CHEMBL5082136) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1nc(Nc2ccc(cc2)C(=O)NCCCCOc2ccc(cc2)C2CCC(=O)NC2=O)nc2[nH]ccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to JAK2 (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00650 BindingDB Entry DOI: 10.7270/Q2D79GBF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374722 (11-fluoro-13-methyl-6,7,13,14-tetrahydro-1,15- eth...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374722 (11-fluoro-13-methyl-6,7,13,14-tetrahydro-1,15- eth...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426601 (CHEMBL2325895) Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Binding affinity to JAK2 (unknown origin)				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM214689 (US9295672, (S)-(4-fluorophenyl)(4-((5-methyl-1H-py...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) assessed as dissociate constant				Eur J Med Chem 170: 55-72 (2019) Article DOI: 10.1016/j.ejmech.2019.03.004 BindingDB Entry DOI: 10.7270/Q2474F5D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50122318 (BMS-911543) Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1 Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Binding affinity to JAK2 (unknown origin) assessed as dissociation constant				ACS Med Chem Lett 6: 850-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00226 BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374721 (11-fluoro-6,7,13,14-tetrahydro-1,15- ethenopyrazol...) Show SMILES Fc1ccc2OCCNC(=O)c3cnn4ccc(NCc2c1)nc34 Show InChI InChI=1S/C16H14FN5O2/c17-11-1-2-13-10(7-11)8-19-14-3-5-22-15(21-14)12(9-20-22)16(23)18-4-6-24-13/h1-3,5,7,9H,4,6,8H2,(H,18,23)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374721 (11-fluoro-6,7,13,14-tetrahydro-1,15- ethenopyrazol...) Show SMILES Fc1ccc2OCCNC(=O)c3cnn4ccc(NCc2c1)nc34 Show InChI InChI=1S/C16H14FN5O2/c17-11-1-2-13-10(7-11)8-19-14-3-5-22-15(21-14)12(9-20-22)16(23)18-4-6-24-13/h1-3,5,7,9H,4,6,8H2,(H,18,23)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for JAK2(JH1domain-catalytic) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM477067 (US10882859, Example 2(a)) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C32H38FN7O2/c1-2-20-17-29(41)25(33)18-24(20)21-6-7-23-27(16-21)36-37-30(23)31-34-26-10-15-40(19-28(26)35-31)32(42)39-13-8-22(9-14-39)38-11-4-3-5-12-38/h6-7,16-18,22,41H,2-5,8-15,19H2,1H3,(H,34,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM477066 (US10882859, Example 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM586670 (D3RKN_61) Show SMILES O=c1[nH]ccc2nc(N[C@@H]3CCCNC3)nc(Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description D3R2022				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4TSS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374728 (11-fluoro-13-(hydroxymethyl)-6,7,13,14- tetrahydro...) Show SMILES OCC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O3/c18-10-1-2-14-11(7-10)13(9-24)21-15-3-5-23-16(22-15)12(8-20-23)17(25)19-4-6-26-14/h1-3,5,7-8,13,24H,4,6,9H2,(H,19,25)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374728 (11-fluoro-13-(hydroxymethyl)-6,7,13,14- tetrahydro...) Show SMILES OCC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O3/c18-10-1-2-14-11(7-10)13(9-24)21-15-3-5-23-16(22-15)12(8-20-23)17(25)19-4-6-26-14/h1-3,5,7-8,13,24H,4,6,9H2,(H,19,25)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM477065 (US10882859, Reference compound PF-06263276) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1 Show InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462633 (CHEMBL587965 | D3RKN_47) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	D3R	n/a	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description D3R2022				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4TSS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50332294 (CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...) Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for JAK2(JH1domain-catalytic) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for JAK1(JH1domain-catalytic) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK1				J Med Chem 51: 8012-8 (2008) Article DOI: 10.1021/jm801142b BindingDB Entry DOI: 10.7270/Q29W0FB7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2				J Med Chem 51: 8012-8 (2008) Article DOI: 10.1021/jm801142b BindingDB Entry DOI: 10.7270/Q29W0FB7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50273894 (3-((3R,4S)-3-((1H-Indol-4-yl)(methyl)amino)-4-meth...) Show SMILES C[C@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of JAK2				J Med Chem 51: 8012-8 (2008) Article DOI: 10.1021/jm801142b BindingDB Entry DOI: 10.7270/Q29W0FB7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374729 (12-fluoro-5,6,7,8,14,15-hexahydro-4H-1,16- ethenop...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(CCc2c1)nc34 Show InChI InChI=1S/C18H17FN4O2/c19-13-3-5-16-12(10-13)2-4-14-6-8-23-17(22-14)15(11-21-23)18(24)20-7-1-9-25-16/h3,5-6,8,10-11H,1-2,4,7,9H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374729 (12-fluoro-5,6,7,8,14,15-hexahydro-4H-1,16- ethenop...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(CCc2c1)nc34 Show InChI InChI=1S/C18H17FN4O2/c19-13-3-5-16-12(10-13)2-4-14-6-8-23-17(22-14)15(11-21-23)18(24)20-7-1-9-25-16/h3,5-6,8,10-11H,1-2,4,7,9H2,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM586624 (D3RKN_4) Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4[C@@H]5C[C@@H](c4c3)C(=O)NC5)ncc2C(F)(F)F)c1 |TLB:25:24:18.22:20,THB:17:18:20:27.26.24,23:22:20:27.26.24| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description D3R2022				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4TSS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM214689 (US9295672, (S)-(4-fluorophenyl)(4-((5-methyl-1H-py...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1 Show InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) assessed as dissociate constant				Eur J Med Chem 170: 55-72 (2019) Article DOI: 10.1016/j.ejmech.2019.03.004 BindingDB Entry DOI: 10.7270/Q2474F5D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374716 (10-fluoro-8-methyl-15,16-dihydro-8H-3,6- ethenoimi...) Show SMILES CC1Oc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2 Show InChI InChI=1S/C17H15FN4O3/c1-10-12-8-11(18)2-3-14(12)24-7-6-19-17(23)13-9-20-15-4-5-16(25-10)21-22(13)15/h2-5,8-10H,6-7H2,1H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374716 (10-fluoro-8-methyl-15,16-dihydro-8H-3,6- ethenoimi...) Show SMILES CC1Oc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2 Show InChI InChI=1S/C17H15FN4O3/c1-10-12-8-11(18)2-3-14(12)24-7-6-19-17(23)13-9-20-15-4-5-16(25-10)21-22(13)15/h2-5,8-10H,6-7H2,1H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM477065 (US10882859, Reference compound PF-06263276) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1 Show InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair
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	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for JAK1(JH1domain-catalytic) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM60665 (BDBM50249542 | US9145414, R406 | US9212178, R406) Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for JAK2(JH1domain-catalytic) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50308060 (16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...) Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for JAK2(JH1domain-catalytic) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374718 (14-ethyl-11-fluoro-6,7,13,14-tetrahydro-1,15- ethe...) Show SMILES CCN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C18H18FN5O2/c1-2-23-11-12-9-13(19)3-4-15(12)26-8-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374718 (14-ethyl-11-fluoro-6,7,13,14-tetrahydro-1,15- ethe...) Show SMILES CCN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C18H18FN5O2/c1-2-23-11-12-9-13(19)3-4-15(12)26-8-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50308060 (16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...) Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to JH1 catalytic domain JAK2				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The kinase reaction is performed in a black U-bottom 96-well microtitre plate. The final reaction volume is 50 μL and contains a final concentra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DR2ZQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...				US Patent US8937070 (2015) BindingDB Entry DOI: 10.7270/Q2GB22RV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...				US Patent US8937070 (2015) BindingDB Entry DOI: 10.7270/Q2GB22RV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
PORTOLA PHARMACEUTICALS, INC. US Patent					Assay Description Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...				US Patent US10533001 (2020) BindingDB Entry DOI: 10.7270/Q2Z03BJR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
PORTOLA PHARMACEUTICALS, INC. US Patent					Assay Description Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...				US Patent US10533001 (2020) BindingDB Entry DOI: 10.7270/Q2Z03BJR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair

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