Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'mukai' and Initial = 'c'   

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 JAK3 (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	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) measured after 1 hr in presence of ATP by TR-FRET assay				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate measured after 40 mins in presence of ATP by scintillation counting method				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate measured after 40 mins in presence of ATP by scintillation counting method				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533709 (CHEMBL4564551) Show SMILES Cc1nn(CC2CC2)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H14N6/c1-8-11(18-19(17-8)6-9-2-3-9)12-10-4-5-14-13(10)16-7-15-12/h4-5,7,9H,2-3,6H2,1H3,(H,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533711 (CHEMBL4460736) Show SMILES Cc1nn(CC2CCC2)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C14H16N6/c1-9-12(19-20(18-9)7-10-3-2-4-10)13-11-5-6-15-14(11)17-8-16-13/h5-6,8,10H,2-4,7H2,1H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533704 (CHEMBL4475579) Show SMILES Cc1nn(CCCCC#N)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C14H15N7/c1-10-12(20-21(19-10)8-4-2-3-6-15)13-11-5-7-16-14(11)18-9-17-13/h5,7,9H,2-4,8H2,1H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533706 (CHEMBL4474787) Show SMILES CC(=C)Cn1nc(C)c(n1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H14N6/c1-8(2)6-19-17-9(3)11(18-19)12-10-4-5-14-13(10)16-7-15-12/h4-5,7H,1,6H2,2-3H3,(H,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533712 (CHEMBL4518995) Show SMILES Cc1nn(CC2CCCC2)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H18N6/c1-10-13(14-12-6-7-16-15(12)18-9-17-14)20-21(19-10)8-11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50533713 (CHEMBL4445037) Show SMILES Cc1nn(CCCC#N)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H13N7/c1-9-11(19-20(18-9)7-3-2-5-14)12-10-4-6-15-13(10)17-8-16-12/h4,6,8H,2-3,7H2,1H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate measured after 40 mins in presence of ATP by scintillation counting method				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533713 (CHEMBL4445037) Show SMILES Cc1nn(CCCC#N)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H13N7/c1-9-11(19-20(18-9)7-3-2-5-14)12-10-4-6-15-13(10)17-8-16-12/h4,6,8H,2-3,7H2,1H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50533707 (CHEMBL4537821) Show SMILES Cc1nn(CCCC(F)(F)F)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H13F3N6/c1-8-10(11-9-3-5-17-12(9)19-7-18-11)21-22(20-8)6-2-4-13(14,15)16/h3,5,7H,2,4,6H2,1H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate measured after 40 mins in presence of ATP by scintillation counting method				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533707 (CHEMBL4537821) Show SMILES Cc1nn(CCCC(F)(F)F)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H13F3N6/c1-8-10(11-9-3-5-17-12(9)19-7-18-11)21-22(20-8)6-2-4-13(14,15)16/h3,5,7H,2,4,6H2,1H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50533704 (CHEMBL4475579) Show SMILES Cc1nn(CCCCC#N)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C14H15N7/c1-10-12(20-21(19-10)8-4-2-3-6-15)13-11-5-7-16-14(11)18-9-17-13/h5,7,9H,2-4,8H2,1H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate measured after 40 mins in presence of ATP by scintillation counting method				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50533706 (CHEMBL4474787) Show SMILES CC(=C)Cn1nc(C)c(n1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H14N6/c1-8(2)6-19-17-9(3)11(18-19)12-10-4-5-14-13(10)16-7-15-12/h4-5,7H,1,6H2,2-3H3,(H,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate measured after 40 mins in presence of ATP by scintillation counting method				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533705 (CHEMBL4473540) Show SMILES Cc1nn(CCCO)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C12H14N6O/c1-8-10(17-18(16-8)5-2-6-19)11-9-3-4-13-12(9)15-7-14-11/h3-4,7,19H,2,5-6H2,1H3,(H,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533708 (CHEMBL4458964) Show SMILES Cc1nn(CCCCCC#N)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H17N7/c1-11-13(14-12-6-8-17-15(12)19-10-18-14)21-22(20-11)9-5-3-2-4-7-16/h6,8,10H,2-5,9H2,1H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50533708 (CHEMBL4458964) Show SMILES Cc1nn(CCCCCC#N)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H17N7/c1-11-13(14-12-6-8-17-15(12)19-10-18-14)21-22(20-11)9-5-3-2-4-7-16/h6,8,10H,2-5,9H2,1H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate measured after 40 mins in presence of ATP by scintillation counting method				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533710 (CHEMBL4459730) Show SMILES COCCn1nc(C)c(n1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C12H14N6O/c1-8-10(17-18(16-8)5-6-19-2)11-9-3-4-13-12(9)15-7-14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					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	n/a	n/a	428	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) measured after 1 hr in presence of ATP by TR-FRET assay				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50533709 (CHEMBL4564551) Show SMILES Cc1nn(CC2CC2)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H14N6/c1-8-11(18-19(17-8)6-9-2-3-9)12-10-4-5-14-13(10)16-7-15-12/h4-5,7,9H,2-3,6H2,1H3,(H,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	444	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate measured after 40 mins in presence of ATP by scintillation counting method				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533714 (CHEMBL4447949) Show SMILES Cc1nn(CC=C)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C12H12N6/c1-3-6-18-16-8(2)10(17-18)11-9-4-5-13-12(9)15-7-14-11/h3-5,7H,1,6H2,2H3,(H,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	511	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50533715 (CHEMBL4467032) Show SMILES CC(C)=CCn1nc(C)c(n1)-c1ncnc2[nH]ccc12 |(16.83,-9.04,;16.18,-10.43,;14.64,-10.56,;17.06,-11.69,;16.41,-13.08,;17.29,-14.35,;18.83,-14.38,;19.28,-15.85,;20.73,-16.36,;18.01,-16.74,;16.78,-15.8,;17.98,-18.28,;16.63,-19.02,;16.6,-20.56,;17.92,-21.36,;19.27,-20.61,;20.72,-21.12,;21.66,-19.89,;20.77,-18.63,;19.3,-19.07,)| Show InChI InChI=1S/C14H16N6/c1-9(2)5-7-20-18-10(3)12(19-20)13-11-4-6-15-14(11)17-8-16-13/h4-6,8H,7H2,1-3H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	786	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP b...				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50533713 (CHEMBL4445037) Show SMILES Cc1nn(CCCC#N)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H13N7/c1-9-11(19-20(18-9)7-3-2-5-14)12-10-4-6-15-13(10)17-8-16-12/h4,6,8H,2-3,7H2,1H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) measured after 1 hr in presence of ATP by TR-FRET assay				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50533709 (CHEMBL4564551) Show SMILES Cc1nn(CC2CC2)nc1-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C13H14N6/c1-8-11(18-19(17-8)6-9-2-3-9)12-10-4-5-14-13(10)16-7-15-12/h4-5,7,9H,2-3,6H2,1H3,(H,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) measured after 1 hr in presence of ATP by TR-FRET assay				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Mus musculus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	186	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of JAK2 V617F mutant expressed in mouse BaF3 cells cells assessed as reduction in cell viability				Bioorg Med Chem 24: 5036-5046 (2016) Article DOI: 10.1016/j.bmc.2016.08.008 BindingDB Entry DOI: 10.7270/Q2C82DRC
					More data for this Ligand-Target Pair				3D Structure (crystal)