Compile Data Set for Download or QSAR

Found 1865 hits with Last Name = 'sabnis' and Initial = 'y'   

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
Genome polyprotein (Hepatitis C virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV 1a NS3 protease				Bioorg Med Chem 15: 1448-74 (2007) Article DOI: 10.1016/j.bmc.2006.11.003 BindingDB Entry DOI: 10.7270/Q22B8ZVH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50349228 (CHEMBL1808384) Show SMILES C[C@]1([C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O2S/c1-22(18-11-6-12-19(14-18)23-27(2,25)26)20-15-24(16-21(20)22)13-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,14,20-21,23H,7,10,13,15-16H2,1-2H3/t20-,21+,22+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor				Bioorg Med Chem Lett 21: 4608-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.132 BindingDB Entry DOI: 10.7270/Q2FN16J7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50349227 (CHEMBL1808383) Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H]1[C@H]2CN(CCCc3ccccc3)C[C@@H]12 |r| Show InChI InChI=1S/C21H26N2O2S/c1-26(24,25)22-18-11-5-10-17(13-18)21-19-14-23(15-20(19)21)12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13,19-22H,6,9,12,14-15H2,1H3/t19-,20+,21+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor				Bioorg Med Chem Lett 21: 4608-11 (2011) Article DOI: 10.1016/j.bmcl.2011.05.132 BindingDB Entry DOI: 10.7270/Q2FN16J7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281327 (US10022376, Example 137) Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O Show InChI InChI=1S/C25H28FN5O3S/c1-4-10-31(35(3,33)34)23-9-7-6-8-17(23)14-27-25-19-15-28-30-22(19)13-21(29-25)18-12-20(26)24(32)11-16(18)5-2/h6-9,11-13,15,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM139691 (US8895544, 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281327 (US10022376, Example 137) Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O Show InChI InChI=1S/C25H28FN5O3S/c1-4-10-31(35(3,33)34)23-9-7-6-8-17(23)14-27-25-19-15-28-30-22(19)13-21(29-25)18-12-20(26)24(32)11-16(18)5-2/h6-9,11-13,15,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281307 (US10022376, Example 125) Show SMILES CCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)SC)n1 Show InChI InChI=1S/C23H25N5OS/c1-4-15-11-17(29)9-10-18(15)20-12-21-19(14-25-27-21)23(26-20)24-13-16-7-5-6-8-22(16)28(2)30-3/h5-12,14,29H,4,13H2,1-3H3,(H,24,26)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286208 (US9518052, Example 125) Show SMILES CCc1cc(O)ccc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)SC)n1 Show InChI InChI=1S/C23H27N5OS/c1-4-15-11-17(29)9-10-18(15)21-12-20(25)19(13-24)23(27-21)26-14-16-7-5-6-8-22(16)28(2)30-3/h5-13,24,29H,4,14H2,1-3H3,(H3,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM281327 (US10022376, Example 137) Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O Show InChI InChI=1S/C25H28FN5O3S/c1-4-10-31(35(3,33)34)23-9-7-6-8-17(23)14-27-25-19-15-28-30-22(19)13-21(29-25)18-12-20(26)24(32)11-16(18)5-2/h6-9,11-13,15,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM139691 (US8895544, 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM281327 (US10022376, Example 137) Show SMILES CCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O Show InChI InChI=1S/C25H28FN5O3S/c1-4-10-31(35(3,33)34)23-9-7-6-8-17(23)14-27-25-19-15-28-30-22(19)13-21(29-25)18-12-20(26)24(32)11-16(18)5-2/h6-9,11-13,15,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50234911 (CHEMBL3928932) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H18N4O/c1-2-13-11-15(27)8-10-16(13)14-7-9-17-20(12-14)25-26-21(17)22-23-18-5-3-4-6-19(18)24-22/h3-12,27H,2H2,1H3,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286364 (N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-py...) Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2c(F)cccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C23H25F2N5O3S/c1-4-13-8-22(31)18(25)9-14(13)20-10-19(27)15(11-26)23(29-20)28-12-16-17(24)6-5-7-21(16)30(2)34(3,32)33/h5-11,26,31H,4,12H2,1-3H3,(H3,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM139694 (US8895544, 4) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[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 PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50234908 (CHEMBL4093813) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(C)=O Show InChI InChI=1S/C23H23N5O2/c1-3-14-10-16(30)5-7-17(14)15-4-6-18-20(11-15)26-27-22(18)23-24-19-8-9-28(13(2)29)12-21(19)25-23/h4-7,10-11,30H,3,8-9,12H2,1-2H3,(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281310 (US10022376, Example 131) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C23H24FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)19-11-20-17(13-26-28-20)23(27-19)25-12-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-11,13,30H,4,12H2,1-3H3,(H,25,27)(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281344 (N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-py...) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2c(F)cccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C23H23F2N5O3S/c1-4-13-8-22(31)18(25)9-14(13)19-10-20-16(12-27-29-20)23(28-19)26-11-15-17(24)6-5-7-21(15)30(2)34(3,32)33/h5-10,12,31H,4,11H2,1-3H3,(H,26,28)(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281310 (US10022376, Example 131) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C23H24FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)19-11-20-17(13-26-28-20)23(27-19)25-12-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-11,13,30H,4,12H2,1-3H3,(H,25,27)(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM139692 (US8895544, 2 | US8895544, 3) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccsn1 Show InChI InChI=1S/C25H21FN6O2S/c1-2-13-10-22(33)17(26)11-16(13)14-3-4-15-20(9-14)29-30-23(15)24-27-18-5-7-32(12-21(18)28-24)25(34)19-6-8-35-31-19/h3-4,6,8-11,33H,2,5,7,12H2,1H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM139691 (US8895544, 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.600	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286314 (N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...) Show SMILES CCN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC)S(C)(=O)=O Show InChI InChI=1S/C24H28FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)21-12-20(27)18(13-26)24(29-21)28-14-16-8-6-7-9-22(16)30(5-2)34(3,32)33/h6-13,26,31H,4-5,14H2,1-3H3,(H3,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281328 (N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...) Show SMILES CCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O Show InChI InChI=1S/C24H26FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)20-12-21-18(14-27-29-21)24(28-20)26-13-16-8-6-7-9-22(16)30(5-2)34(3,32)33/h6-12,14,31H,4-5,13H2,1-3H3,(H,26,28)(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281331 (N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-py...) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(=O)(=O)CC)n1 Show InChI InChI=1S/C24H26FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)20-12-21-18(14-27-29-21)24(28-20)26-13-16-8-6-7-9-22(16)30(3)34(32,33)5-2/h6-12,14,31H,4-5,13H2,1-3H3,(H,26,28)(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281331 (N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-py...) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(=O)(=O)CC)n1 Show InChI InChI=1S/C24H26FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)20-12-21-18(14-27-29-21)24(28-20)26-13-16-8-6-7-9-22(16)30(3)34(32,33)5-2/h6-12,14,31H,4-5,13H2,1-3H3,(H,26,28)(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM139703 (US8895544, 16) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(nc1)C#N Show InChI InChI=1S/C28H22FN7O2/c1-2-15-10-25(37)21(29)11-20(15)16-4-6-19-23(9-16)34-35-26(19)27-32-22-7-8-36(14-24(22)33-27)28(38)17-3-5-18(12-30)31-13-17/h3-6,9-11,13,37H,2,7-8,14H2,1H3,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM139691 (US8895544, 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.700	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281345 (N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...) Show SMILES CCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(=O)(=O)CC Show InChI InChI=1S/C25H28FN5O3S/c1-4-16-11-24(32)20(26)12-18(16)21-13-22-19(15-28-30-22)25(29-21)27-14-17-9-7-8-10-23(17)31(5-2)35(33,34)6-3/h7-13,15,32H,4-6,14H2,1-3H3,(H,27,29)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281345 (N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...) Show SMILES CCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(=O)(=O)CC Show InChI InChI=1S/C25H28FN5O3S/c1-4-16-11-24(32)20(26)12-18(16)21-13-22-19(15-28-30-22)25(29-21)27-14-17-9-7-8-10-23(17)31(5-2)35(33,34)6-3/h7-13,15,32H,4-6,14H2,1-3H3,(H,27,29)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50234904 (CHEMBL4086057) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1 Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50234903 (CHEMBL4103980) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H17FN4O/c1-2-12-10-20(28)16(23)11-15(12)13-7-8-14-19(9-13)26-27-21(14)22-24-17-5-3-4-6-18(17)25-22/h3-11,28H,2H2,1H3,(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50234904 (CHEMBL4086057) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1 Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM139691 (US8895544, 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Tyk2 (unknown origin) using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by mic...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM139701 (US8895544, 14) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc3ccccc3)CCc2[nH]1 Show InChI InChI=1S/C29H28FN5O/c1-2-19-15-27(36)23(30)16-22(19)20-8-9-21-26(14-20)33-34-28(21)29-31-24-10-12-35(13-11-25(24)32-29)17-18-6-4-3-5-7-18/h3-9,14-16,36H,2,10-13,17H2,1H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281339 (US10022376, Example 146) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(n1)N(C)Cc1ccccc1N(C)S(C)(=O)=O Show InChI InChI=1S/C24H26FN5O3S/c1-5-15-10-23(31)19(25)11-17(15)20-12-21-18(13-26-28-21)24(27-20)29(2)14-16-8-6-7-9-22(16)30(3)34(4,32)33/h6-13,31H,5,14H2,1-4H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281343 (6-(2-ethyl-5-fluoro-4-hydroxy-phenyl)-N-methyl-4-(...) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C25H27FN6O4S/c1-5-14-10-21(33)17(26)11-16(14)18-12-19-22(23(31-30-19)25(34)27-2)24(29-18)28-13-15-8-6-7-9-20(15)32(3)37(4,35)36/h6-12,33H,5,13H2,1-4H3,(H,27,34)(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	0.900	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50234904 (CHEMBL4086057) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1 Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281343 (6-(2-ethyl-5-fluoro-4-hydroxy-phenyl)-N-methyl-4-(...) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C25H27FN6O4S/c1-5-14-10-21(33)17(26)11-16(14)18-12-19-22(23(31-30-19)25(34)27-2)24(29-18)28-13-15-8-6-7-9-20(15)32(3)37(4,35)36/h6-12,33H,5,13H2,1-4H3,(H,27,34)(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	0.900	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281339 (US10022376, Example 146) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(n1)N(C)Cc1ccccc1N(C)S(C)(=O)=O Show InChI InChI=1S/C24H26FN5O3S/c1-5-15-10-23(31)19(25)11-17(15)20-12-21-18(13-26-28-21)24(27-20)29(2)14-16-8-6-7-9-22(16)30(3)34(4,32)33/h6-13,31H,5,14H2,1-4H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM139699 (US8895544, 11) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccsn1 Show InChI InChI=1S/C26H23FN6O2S/c1-2-14-12-23(34)18(27)13-17(14)15-3-4-16-22(11-15)30-31-24(16)25-28-19-5-8-33(9-6-20(19)29-25)26(35)21-7-10-36-32-21/h3-4,7,10-13,34H,2,5-6,8-9H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM286208 (US9518052, Example 125) Show SMILES CCc1cc(O)ccc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)SC)n1 Show InChI InChI=1S/C23H27N5OS/c1-4-15-11-17(29)9-10-18(15)21-12-20(25)19(13-24)23(27-21)26-14-16-7-5-6-8-22(16)28(2)30-3/h5-13,24,29H,4,14H2,1-3H3,(H3,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286322 (US9518052, Example 145) Show SMILES CCN(c1ccccc1CN(C)c1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC)S(C)(=O)=O Show InChI InChI=1S/C25H30FN5O3S/c1-5-16-11-24(32)20(26)12-18(16)22-13-21(28)19(14-27)25(29-22)30(3)15-17-9-7-8-10-23(17)31(6-2)35(4,33)34/h7-14,27,32H,5-6,15H2,1-4H3,(H2,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281332 (US10022376, Example 145) Show SMILES CCN(c1ccccc1CN(C)c1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O Show InChI InChI=1S/C25H28FN5O3S/c1-5-16-11-24(32)20(26)12-18(16)21-13-22-19(14-27-29-22)25(28-21)30(3)15-17-9-7-8-10-23(17)31(6-2)35(4,33)34/h7-14,32H,5-6,15H2,1-4H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM139702 (US8895544, 15) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(Cl)cn1 Show InChI InChI=1S/C27H22ClFN6O2/c1-2-14-10-24(36)19(29)11-18(14)15-3-5-17-22(9-15)33-34-25(17)26-31-20-7-8-35(13-23(20)32-26)27(37)21-6-4-16(28)12-30-21/h3-6,9-12,36H,2,7-8,13H2,1H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281419 (US10022376, Example 30) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(N)=O)c2c(NCc2ccc(O)cc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C24H25FN6O5S/c1-4-12-7-20(33)16(25)9-15(12)17-10-18-21(22(23(26)34)30-29-18)24(28-17)27-11-13-5-6-14(32)8-19(13)31(2)37(3,35)36/h5-10,32-33H,4,11H2,1-3H3,(H2,26,34)(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM281307 (US10022376, Example 125) Show SMILES CCc1cc(O)ccc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)SC)n1 Show InChI InChI=1S/C23H25N5OS/c1-4-15-11-17(29)9-10-18(15)20-12-21-19(14-25-27-21)23(26-20)24-13-16-7-5-6-8-22(16)28(2)30-3/h5-12,14,29H,4,13H2,1-3H3,(H,24,26)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281419 (US10022376, Example 30) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(N)=O)c2c(NCc2ccc(O)cc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C24H25FN6O5S/c1-4-12-7-20(33)16(25)9-15(12)17-10-18-21(22(23(26)34)30-29-18)24(28-17)27-11-13-5-6-14(32)8-19(13)31(2)37(3,35)36/h5-10,32-33H,4,11H2,1-3H3,(H2,26,34)(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM139692 (US8895544, 2 | US8895544, 3) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccsn1 Show InChI InChI=1S/C25H21FN6O2S/c1-2-13-10-22(33)17(26)11-16(13)14-3-4-15-20(9-14)29-30-23(15)24-27-18-5-7-32(12-21(18)28-24)25(34)19-6-8-35-31-19/h3-4,6,8-11,33H,2,5,7,12H2,1H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM281335 (US10022376, Example 147) Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(CCO)S(C)(=O)=O)n1 Show InChI InChI=1S/C24H26FN5O4S/c1-3-15-10-23(32)19(25)11-17(15)20-12-21-18(14-27-29-21)24(28-20)26-13-16-6-4-5-7-22(16)30(8-9-31)35(2,33)34/h4-7,10-12,14,31-32H,3,8-9,13H2,1-2H3,(H,26,28)(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US10022376 (2018) BindingDB Entry DOI: 10.7270/Q2JQ131W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286328 (US9518052, Example 147) Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(CCO)S(C)(=O)=O)n1 Show InChI InChI=1S/C24H28FN5O4S/c1-3-15-10-23(32)19(25)11-17(15)21-12-20(27)18(13-26)24(29-21)28-14-16-6-4-5-7-22(16)30(8-9-31)35(2,33)34/h4-7,10-13,26,31-32H,3,8-9,14H2,1-2H3,(H3,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM44378 (US8895544, 29) Show SMILES Oc1cc(CC(F)(F)F)c(cc1F)-c1ccc2c(n[nH]c2c1)-c1nc2cc(cnc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1 Show InChI InChI=1S/C31H22F4N8O2/c32-21-11-20(17(10-25(21)44)12-31(33,34)35)16-4-5-19-22(8-16)41-42-27(19)30-39-23-9-18(13-38-29(23)40-30)28(45)24-14-37-26(15-36-24)43-6-2-1-3-7-43/h4-5,8-11,13-15,44H,1-3,6-7,12H2/b30-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	25
Pfizer Limited US Patent					Assay Description JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...				US Patent US8895544 (2014) BindingDB Entry DOI: 10.7270/Q2S46QNM
					More data for this Ligand-Target Pair

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