Compile Data Set for Download or QSAR

Found 449 hits with Last Name = 'blaney' and Initial = 'j'   

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 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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK1 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399015 (CHEMBL2178804) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C17H13Cl2N7O/c1-25-8-13(15(24-25)10-6-9(18)2-3-12(10)19)22-17(27)11-7-21-26-5-4-14(20)23-16(11)26/h2-8H,1H3,(H2,20,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399014 (CHEMBL2178805) Show SMILES Cc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-11(19)7-12(10)16-14(9-25(2)24-16)22-18(27)13-8-21-26-6-5-15(20)23-17(13)26/h3-9H,1-2H3,(H2,20,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116315 (US8637526, 248) Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-56.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					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	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399016 (CHEMBL2178803 | US8637526, 225) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.300	-53.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399019 (CHEMBL2178801) Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H15ClN6O2/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399016 (CHEMBL2178803 | US8637526, 225) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399021 (CHEMBL2178799 | US8999998, 28) Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C17H12Cl2N6O/c1-24-9-14(15(23-24)11-7-10(18)3-4-13(11)19)22-17(26)12-8-21-25-6-2-5-20-16(12)25/h2-9H,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-52.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified TYK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399020 (CHEMBL2178800) Show SMILES Cc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H15ClN6O/c1-11-4-5-12(19)8-13(11)16-15(10-24(2)23-16)22-18(26)14-9-21-25-7-3-6-20-17(14)25/h3-10H,1-2H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116318 (US8637526, 299) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(NC3CCc4ccccc34)nc12 |r,wU:1.0,(-2.56,-5.93,;-2.16,-4.44,;-3.25,-3.35,;-2.85,-1.87,;-1.36,-1.47,;-.27,-2.56,;-.67,-4.04,;-.96,.02,;-2.05,1.11,;-3.54,.71,;-1.66,2.6,;-2.56,3.84,;-1.66,5.09,;-.19,4.61,;1.14,5.38,;2.48,4.61,;2.48,3.07,;3.81,2.3,;3.81,.76,;2.56,-.14,;3.04,-1.61,;4.58,-1.61,;5.67,-2.7,;7.16,-2.3,;7.56,-.81,;6.47,.28,;5.06,-.14,;1.14,2.3,;-.19,3.07,)| Show InChI InChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26)/t15?,16-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-51.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116316 (US8637526, 277) Show SMILES Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-9-1-2-11(18)12(7-9)25-14(3-5-20-25)23-16(26)10-8-21-24-6-4-13(19)22-15(10)24/h1-8H,(H2,19,22)(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-51.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399009 (CHEMBL2178254) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-24-9-13(15(23-24)10-3-2-4-11(18)7-10)21-17(26)12-8-20-25-6-5-14(19)22-16(12)25/h2-9H,1H3,(H2,19,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399030 (CHEMBL2178258) Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6OS/c1-9-21-14(10-3-2-4-11(18)7-10)17(26-9)23-16(25)12-8-20-24-6-5-13(19)22-15(12)24/h2-8H,1H3,(H2,19,22)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399033 (CHEMBL2178255) Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C16H12ClN7O/c17-10-3-1-2-9(6-10)14-12(8-19-23-14)21-16(25)11-7-20-24-5-4-13(18)22-15(11)24/h1-8H,(H2,18,22)(H,19,23)(H,21,25)	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 purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells				J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116317 (US8637526, 297) Show SMILES O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12 Show InChI InChI=1S/C21H23N5O2/c27-21(24-16-6-9-28-10-7-16)18-13-22-26-8-5-19(25-20(18)26)23-17-11-14-3-1-2-4-15(14)12-17/h1-5,8,13,16-17H,6-7,9-12H2,(H,23,25)(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	-49.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399017 (CHEMBL2178802) Show SMILES Cc1ccccc1-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C18H17N7O/c1-11-5-3-4-6-12(11)16-14(10-24(2)23-16)21-18(26)13-9-20-25-8-7-15(19)22-17(13)25/h3-10H,1-2H3,(H2,19,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116315 (US8637526, 248) Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-49.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399031 (CHEMBL2178257 | US8637526, 250) Show SMILES Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-25-22-14)20-16(24)11-7-19-23-5-4-13(18)21-15(11)23/h1-8H,(H2,18,21)(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116313 (US8637526, 231) Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C Show InChI InChI=1S/C18H16N6OS/c1-10-5-3-4-6-12(10)15-18(26-11(2)21-15)23-17(25)13-9-20-24-8-7-14(19)22-16(13)24/h3-9H,1-2H3,(H2,19,22)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	-49.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399031 (CHEMBL2178257 | US8637526, 250) Show SMILES Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-25-22-14)20-16(24)11-7-19-23-5-4-13(18)21-15(11)23/h1-8H,(H2,18,21)(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399022 (CHEMBL2178266) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C19H18N6O/c1-12-5-6-13(2)14(9-12)17-16(11-24(3)23-17)22-19(26)15-10-21-25-8-4-7-20-18(15)25/h4-11H,1-3H3,(H,22,26)	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 purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399037 (CHEMBL2178807) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-10-7-15(25(23-10)12-4-2-3-11(18)8-12)22-17(26)13-9-20-24-6-5-14(19)21-16(13)24/h2-9H,1H3,(H2,19,21)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116315 (US8637526, 248) Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50399016 (CHEMBL2178803 | US8637526, 225) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.90	-48.2	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50399016 (CHEMBL2178803 | US8637526, 225) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.90	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116314 (US8637526, 240) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(c4)C(F)(F)F)nc23)on1 Show InChI InChI=1S/C18H13F3N6O2/c1-10-7-15(29-26-10)25-17(28)13-9-22-27-6-5-14(24-16(13)27)23-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,23,24)(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399034 (CHEMBL2178253) Show SMILES Clc1cccc(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C16H11ClN6O/c17-11-4-1-3-10(7-11)14-13(9-19-22-14)21-16(24)12-8-20-23-6-2-5-18-15(12)23/h1-9H,(H,19,22)(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399010 (CHEMBL2178252) Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-23-10-14(15(22-23)11-4-2-5-12(18)8-11)21-17(25)13-9-20-24-7-3-6-19-16(13)24/h2-10H,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					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	3.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK3 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116315 (US8637526, 248) Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50405965 (CHEMBL287241) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1 Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-8(5-11(6-10)19-2)3-9-7-16-13(15)17-12(9)14/h4-7H,3H2,1-2H3,(H4,14,15,16,17)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells				J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116319 (US8637526, 343) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1ccccc1C Show InChI InChI=1S/C18H17N7O/c1-11-5-3-4-6-14(11)25-16(9-12(2)23-25)22-18(26)13-10-20-24-8-7-15(19)21-17(13)24/h3-10H,1-2H3,(H2,19,21)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.20	-47.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50029760 (5-[3,5-Dimethoxy-4-(2-methoxy-ethoxy)-benzyl]-pyri...) Show SMILES COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)				J Med Chem 25: 777-84 (1982) BindingDB Entry DOI: 10.7270/Q2WH2S6T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399036 (CHEMBL2178247) Show SMILES CNc1ccn2ncc(C(=O)Nc3cc(C)nn3-c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C18H16ClN7O/c1-11-8-16(26(24-11)13-5-3-4-12(19)9-13)23-18(27)14-10-21-25-7-6-15(20-2)22-17(14)25/h3-10H,1-2H3,(H,20,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399018 (CHEMBL2177122) Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1c(Cl)cccc1Cl |(4.01,-28.58,;5.47,-28.11,;5.95,-26.65,;7.5,-26.65,;8.41,-25.41,;7.78,-24,;6.25,-23.83,;8.69,-22.76,;8.22,-21.29,;9.46,-20.38,;10.71,-21.29,;12.22,-20.97,;13.26,-22.13,;12.78,-23.6,;11.26,-23.91,;10.23,-22.76,;7.96,-28.12,;6.71,-29.02,;9.43,-28.6,;10.57,-27.58,;10.25,-26.08,;12.03,-28.06,;12.35,-29.57,;11.19,-30.6,;9.73,-30.11,;8.58,-31.14,)| Show InChI InChI=1S/C17H12Cl2N6O/c1-24-9-13(15(23-24)14-11(18)4-2-5-12(14)19)22-17(26)10-8-21-25-7-3-6-20-16(10)25/h2-9H,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399028 (CHEMBL2178260) Show SMILES OCCn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C18H15ClN6O2/c19-13-4-1-3-12(9-13)16-15(11-24(23-16)7-8-26)22-18(27)14-10-21-25-6-2-5-20-17(14)25/h1-6,9-11,26H,7-8H2,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405088 (CHEMBL31004) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CSc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5S/c1-18(2)22-16(19)21-17(20)23(18)14-10-8-13(9-11-14)12-24-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)				J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399035 (CHEMBL2178249) Show SMILES Clc1cccc(c1)-c1cnccc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H12ClN5O/c19-13-4-1-3-12(9-13)14-10-20-7-5-16(14)23-18(25)15-11-22-24-8-2-6-21-17(15)24/h1-11H,(H,20,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50399016 (CHEMBL2178803 | US8637526, 225) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7.30	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.40	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399012 (CHEMBL2178250) Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)c(cn1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H14ClN5O/c1-12-8-17(15(10-22-12)13-4-2-5-14(20)9-13)24-19(26)16-11-23-25-7-3-6-21-18(16)25/h2-11H,1H3,(H,22,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399038 (CHEMBL2178806) Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-11-8-15(24(22-11)13-5-2-4-12(18)9-13)21-17(25)14-10-20-23-7-3-6-19-16(14)23/h2-10H,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116313 (US8637526, 231) Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C Show InChI InChI=1S/C18H16N6OS/c1-10-5-3-4-6-12(10)15-18(26-11(2)21-15)23-17(25)13-9-20-24-8-7-14(19)22-16(13)24/h3-9H,1-2H3,(H2,19,22)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.4	-44.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399027 (CHEMBL2178261) Show SMILES OC[C@@H](O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C19H17ClN6O3/c20-13-4-1-3-12(7-13)17-16(10-25(24-17)9-14(28)11-27)23-19(29)15-8-22-26-6-2-5-21-18(15)26/h1-8,10,14,27-28H,9,11H2,(H,23,29)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116318 (US8637526, 299) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(NC3CCc4ccccc34)nc12 |r,wU:1.0,(-2.56,-5.93,;-2.16,-4.44,;-3.25,-3.35,;-2.85,-1.87,;-1.36,-1.47,;-.27,-2.56,;-.67,-4.04,;-.96,.02,;-2.05,1.11,;-3.54,.71,;-1.66,2.6,;-2.56,3.84,;-1.66,5.09,;-.19,4.61,;1.14,5.38,;2.48,4.61,;2.48,3.07,;3.81,2.3,;3.81,.76,;2.56,-.14,;3.04,-1.61,;4.58,-1.61,;5.67,-2.7,;7.16,-2.3,;7.56,-.81,;6.47,.28,;5.06,-.14,;1.14,2.3,;-.19,3.07,)| Show InChI InChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26)/t15?,16-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14.5	-44.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116313 (US8637526, 231) Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C Show InChI InChI=1S/C18H16N6OS/c1-10-5-3-4-6-12(10)15-18(26-11(2)21-15)23-17(25)13-9-20-24-8-7-14(19)22-16(13)24/h3-9H,1-2H3,(H2,19,22)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.2	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair

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