Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'malaviya' and Initial = 'r'   

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))	BDBM387821 (N-(2-Cyanoethyl)-2-(1-((1r,4r)-4-(cyanomethyl)cycl...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCC#N |r,wU:18.21,wD:15.17,(-3.18,.17,;-2.41,1.5,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-3.18,2.83,;-4.72,2.83,;-5.49,4.17,;-7.03,4.17,;-8.57,4.17,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527405 (CHEMBL4456630 | US10981911, Example 26) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N1CCC(CC1)N1CCOCC1 |r,wU:15.17,wD:18.21,(59.72,-29.37,;60.49,-28.03,;62.03,-28.03,;62.8,-29.36,;62.18,-30.76,;63.32,-31.78,;63.32,-33.33,;64.65,-34.1,;65.98,-33.33,;67.46,-33.81,;68.37,-32.55,;67.46,-31.3,;65.98,-31.78,;64.64,-31.02,;64.32,-29.52,;65.35,-28.37,;64.88,-26.92,;65.91,-25.77,;67.42,-26.09,;68.45,-24.95,;69.96,-25.28,;71.47,-25.61,;67.89,-27.56,;66.86,-28.7,;59.72,-26.7,;60.49,-25.37,;59.73,-24.04,;58.19,-24.03,;57.41,-25.37,;58.18,-26.71,;57.42,-22.7,;58.2,-21.37,;57.43,-20.04,;55.89,-20.03,;55.12,-21.36,;55.88,-22.7,)| Show InChI InChI=1S/C27H35N7O2/c28-9-5-19-1-3-21(4-2-19)34-24(31-23-18-30-27-22(26(23)34)6-10-29-27)17-25(35)33-11-7-20(8-12-33)32-13-15-36-16-14-32/h6,10,18-21H,1-5,7-8,11-17H2,(H,29,30)/t19-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM387815 (US10294226, Compound A | US10487083, Example A | U...) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:16.19,wD:13.15,(-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387815 (US10294226, Compound A | US10487083, Example A | U...) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:16.19,wD:13.15,(-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387824 (N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanom...) Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C#N |r,wU:23.26,wD:20.22,(-5.09,-2.66,;-5.49,-1.17,;-4,-1.57,;-4.72,.17,;-3.18,.17,;-2.41,1.5,;-3.18,2.83,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-7.03,-1.17,;-8.57,-1.17,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527410 (CHEMBL4439418 | US10981911, Example 57) Show SMILES FC(F)(F)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:21.23,wD:24.27,(29.58,-41.12,;28.81,-42.46,;27.27,-42.46,;28.03,-41.11,;29.58,-43.79,;31.12,-43.79,;31.89,-45.12,;31.13,-46.45,;33.43,-45.12,;34.21,-46.45,;33.58,-47.85,;34.72,-48.87,;34.72,-50.42,;36.06,-51.19,;37.39,-50.42,;38.86,-50.9,;39.78,-49.64,;38.86,-48.39,;37.39,-48.87,;36.05,-48.11,;35.73,-46.61,;36.76,-45.46,;36.28,-44,;37.32,-42.86,;38.83,-43.18,;39.86,-42.04,;41.37,-42.36,;42.87,-42.7,;39.3,-44.65,;38.27,-45.79,)| Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)11-27-17(30)9-16-28-15-10-26-19-14(6-8-25-19)18(15)29(16)13-3-1-12(2-4-13)5-7-24/h6,8,10,12-13H,1-5,9,11H2,(H,25,26)(H,27,30)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527404 (CHEMBL4514898 | US10981911, Example 62) Show SMILES CC(C)CN1CCC(CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:26.29,wD:29.33,(7.39,-23.23,;8.93,-23.24,;9.7,-21.9,;9.69,-24.57,;11.23,-24.57,;12.01,-23.24,;13.54,-23.24,;14.31,-24.58,;13.55,-25.91,;12,-25.91,;15.85,-24.58,;16.62,-25.91,;15.85,-27.24,;18.16,-25.91,;18.93,-27.24,;18.31,-28.64,;19.45,-29.66,;19.45,-31.21,;20.78,-31.98,;22.11,-31.21,;23.59,-31.69,;24.5,-30.43,;23.59,-29.18,;22.11,-29.66,;20.77,-28.9,;20.45,-27.4,;21.48,-26.25,;21.01,-24.79,;22.04,-23.65,;23.55,-23.97,;24.59,-22.83,;26.09,-23.15,;27.6,-23.49,;24.02,-25.44,;23,-26.58,)| Show InChI InChI=1S/C27H37N7O/c1-18(2)17-33-13-9-20(10-14-33)31-25(35)15-24-32-23-16-30-27-22(8-12-29-27)26(23)34(24)21-5-3-19(4-6-21)7-11-28/h8,12,16,18-21H,3-7,9-10,13-15,17H2,1-2H3,(H,29,30)(H,31,35)/t19-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387818 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.27,wD:21.23,(-4.33,5.71,;-5.1,4.37,;-6.64,4.37,;-5.87,5.71,;-4.33,3.04,;-5.1,1.71,;-4.33,.37,;-5.1,-.96,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527406 (CHEMBL4588333 | US10981911, Example 45) Show SMILES Fc1ccc(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cc1 |r,wU:22.24,wD:25.28,(4.15,-4.61,;4.92,-5.95,;6.47,-5.94,;7.24,-7.28,;6.46,-8.6,;7.24,-9.93,;8.78,-9.93,;9.55,-11.26,;8.78,-12.6,;11.09,-11.26,;11.86,-12.6,;11.24,-14,;12.38,-15.02,;12.38,-16.56,;13.71,-17.33,;15.04,-16.56,;16.52,-17.04,;17.43,-15.79,;16.52,-14.53,;15.04,-15.01,;13.7,-14.25,;13.38,-12.75,;14.41,-11.61,;13.94,-10.15,;14.97,-9,;16.48,-9.33,;17.52,-8.18,;19.02,-8.51,;20.53,-8.84,;16.95,-10.79,;15.93,-11.93,;4.93,-8.62,;4.16,-7.29,)| Show InChI InChI=1S/C25H25FN6O/c26-18-5-1-17(2-6-18)14-29-23(33)13-22-31-21-15-30-25-20(10-12-28-25)24(21)32(22)19-7-3-16(4-8-19)9-11-27/h1-2,5-6,10,12,15-16,19H,3-4,7-9,13-14H2,(H,28,30)(H,29,33)/t16-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527409 (CHEMBL4447497 | US10981911, Example 58) Show SMILES NC(=O)C12CCC(CC1)(CC2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:27.31,wD:30.35,(51.54,-6.32,;52.99,-6.72,;53.36,-8.17,;54.07,-5.78,;55.42,-4.48,;56.49,-4.98,;55.4,-5.91,;55.39,-7.27,;54.08,-7.23,;53.78,-4.37,;52.64,-4.97,;56.73,-6.67,;56.73,-8.21,;55.39,-8.99,;58.06,-8.99,;58.06,-10.53,;56.81,-11.41,;57.26,-12.87,;56.46,-14.2,;57.23,-15.55,;58.77,-15.57,;59.8,-16.73,;61.22,-16.11,;61.08,-14.57,;59.56,-14.23,;58.8,-12.89,;59.29,-11.44,;60.76,-10.98,;61.09,-9.48,;62.57,-9.03,;63.71,-10.07,;65.18,-9.62,;66.31,-10.67,;67.44,-11.72,;63.36,-11.57,;61.9,-12.03,)| Show InChI InChI=1S/C27H33N7O2/c28-13-5-17-1-3-18(4-2-17)34-21(32-20-16-31-24-19(23(20)34)6-14-30-24)15-22(35)33-27-10-7-26(8-11-27,9-12-27)25(29)36/h6,14,16-18H,1-5,7-12,15H2,(H2,29,36)(H,30,31)(H,33,35)/t17-,18-,26?,27?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527408 (CHEMBL4437638 | US10981911, Example 94) Show SMILES O=C(CC1CC1)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:20.23,wD:23.27,(54.26,-42.75,;53.5,-44.08,;51.96,-44.08,;51.18,-42.75,;51.17,-41.21,;49.84,-41.99,;54.27,-45.41,;55.81,-45.41,;56.58,-46.75,;55.96,-48.15,;57.1,-49.17,;57.1,-50.71,;58.43,-51.48,;59.76,-50.71,;61.24,-51.19,;62.15,-49.94,;61.24,-48.68,;59.76,-49.16,;58.42,-48.4,;58.1,-46.9,;59.13,-45.76,;58.66,-44.3,;59.69,-43.15,;61.2,-43.48,;62.23,-42.33,;63.74,-42.66,;65.25,-42.99,;61.67,-44.94,;60.65,-46.08,)| Show InChI InChI=1S/C22H26N6O/c23-9-7-14-3-5-16(6-4-14)28-19(13-25-20(29)11-15-1-2-15)27-18-12-26-22-17(21(18)28)8-10-24-22/h8,10,12,14-16H,1-7,11,13H2,(H,24,26)(H,25,29)/t14-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50295811 (12,13-[2-carboxymethyl-cis-2,3-dihydroxy)-1,4-buty...) Show SMILES COC(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r| Show InChI InChI=1S/C26H19N3O6/c1-35-25(33)26(34)11-29-15-9-5-3-7-13(15)18-20-19(23(31)27-24(20)32)17-12-6-2-4-8-14(12)28(10-16(26)30)21(17)22(18)29/h2-9,16,30,34H,10-11H2,1H3,(H,27,31,32)/t16-,26+/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation				Bioorg Med Chem Lett 19: 3333-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.039 BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527407 (CHEMBL4582390 | US10981911, Example 33) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:23.26,4.7,wD:26.30,1.0,(24.62,-9.21,;26.16,-9.22,;26.93,-10.55,;28.47,-10.56,;29.24,-9.23,;28.47,-7.89,;26.94,-7.89,;30.78,-9.23,;31.55,-10.56,;30.78,-11.9,;33.09,-10.56,;33.86,-11.89,;33.24,-13.29,;34.38,-14.31,;34.38,-15.86,;35.71,-16.63,;37.04,-15.86,;38.52,-16.34,;39.43,-15.08,;38.52,-13.83,;37.04,-14.31,;35.7,-13.55,;35.38,-12.05,;36.41,-10.9,;35.93,-9.45,;36.97,-8.3,;38.48,-8.62,;39.51,-7.48,;41.02,-7.81,;42.53,-8.14,;38.95,-10.09,;37.92,-11.23,)| Show InChI InChI=1S/C24H30N6O2/c25-11-9-15-1-5-17(6-2-15)30-21(13-22(32)28-16-3-7-18(31)8-4-16)29-20-14-27-24-19(23(20)30)10-12-26-24/h10,12,14-18,31H,1-9,13H2,(H,26,27)(H,28,32)/t15-,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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50224496 ((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...) Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at CCR2 expressed in THP1 cells assessed as MCP1-induced calcium flux				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527404 (CHEMBL4514898 | US10981911, Example 62) Show SMILES CC(C)CN1CCC(CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:26.29,wD:29.33,(7.39,-23.23,;8.93,-23.24,;9.7,-21.9,;9.69,-24.57,;11.23,-24.57,;12.01,-23.24,;13.54,-23.24,;14.31,-24.58,;13.55,-25.91,;12,-25.91,;15.85,-24.58,;16.62,-25.91,;15.85,-27.24,;18.16,-25.91,;18.93,-27.24,;18.31,-28.64,;19.45,-29.66,;19.45,-31.21,;20.78,-31.98,;22.11,-31.21,;23.59,-31.69,;24.5,-30.43,;23.59,-29.18,;22.11,-29.66,;20.77,-28.9,;20.45,-27.4,;21.48,-26.25,;21.01,-24.79,;22.04,-23.65,;23.55,-23.97,;24.59,-22.83,;26.09,-23.15,;27.6,-23.49,;24.02,-25.44,;23,-26.58,)| Show InChI InChI=1S/C27H37N7O/c1-18(2)17-33-13-9-20(10-14-33)31-25(35)15-24-32-23-16-30-27-22(8-12-29-27)26(23)34(24)21-5-3-19(4-6-21)7-11-28/h8,12,16,18-21H,3-7,9-10,13-15,17H2,1-2H3,(H,29,30)(H,31,35)/t19-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50224501 ((E)-2-(4-(7-methoxy-1H-indol-3-yl)piperidin-1-yl)-...) Show SMILES COc1cccc2c(c[nH]c12)C1CCN(CC1)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O |w:17.41| Show InChI InChI=1S/C30H32F3N3O4/c1-40-25-4-2-3-21-22(17-34-28(21)25)19-7-13-36(14-8-19)29(30(38)39)20-9-11-35(12-10-20)26(37)6-5-18-15-23(31)27(33)24(32)16-18/h2-6,15-17,19-20,29,34H,7-14H2,1H3,(H,38,39)/b6-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CCR2				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50527406 (CHEMBL4588333 | US10981911, Example 45) Show SMILES Fc1ccc(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cc1 |r,wU:22.24,wD:25.28,(4.15,-4.61,;4.92,-5.95,;6.47,-5.94,;7.24,-7.28,;6.46,-8.6,;7.24,-9.93,;8.78,-9.93,;9.55,-11.26,;8.78,-12.6,;11.09,-11.26,;11.86,-12.6,;11.24,-14,;12.38,-15.02,;12.38,-16.56,;13.71,-17.33,;15.04,-16.56,;16.52,-17.04,;17.43,-15.79,;16.52,-14.53,;15.04,-15.01,;13.7,-14.25,;13.38,-12.75,;14.41,-11.61,;13.94,-10.15,;14.97,-9,;16.48,-9.33,;17.52,-8.18,;19.02,-8.51,;20.53,-8.84,;16.95,-10.79,;15.93,-11.93,;4.93,-8.62,;4.16,-7.29,)| Show InChI InChI=1S/C25H25FN6O/c26-18-5-1-17(2-6-18)14-29-23(33)13-22-31-21-15-30-25-20(10-12-28-25)24(21)32(22)19-7-3-16(4-8-19)9-11-27/h1-2,5-6,10,12,15-16,19H,3-4,7-9,13-14H2,(H,28,30)(H,29,33)/t16-,19-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL2-induced STAT5 phosphorylation pre-incubated for 30 mins before IL2 stimulation for...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527409 (CHEMBL4447497 | US10981911, Example 58) Show SMILES NC(=O)C12CCC(CC1)(CC2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:27.31,wD:30.35,(51.54,-6.32,;52.99,-6.72,;53.36,-8.17,;54.07,-5.78,;55.42,-4.48,;56.49,-4.98,;55.4,-5.91,;55.39,-7.27,;54.08,-7.23,;53.78,-4.37,;52.64,-4.97,;56.73,-6.67,;56.73,-8.21,;55.39,-8.99,;58.06,-8.99,;58.06,-10.53,;56.81,-11.41,;57.26,-12.87,;56.46,-14.2,;57.23,-15.55,;58.77,-15.57,;59.8,-16.73,;61.22,-16.11,;61.08,-14.57,;59.56,-14.23,;58.8,-12.89,;59.29,-11.44,;60.76,-10.98,;61.09,-9.48,;62.57,-9.03,;63.71,-10.07,;65.18,-9.62,;66.31,-10.67,;67.44,-11.72,;63.36,-11.57,;61.9,-12.03,)| Show InChI InChI=1S/C27H33N7O2/c28-13-5-17-1-3-18(4-2-17)34-21(32-20-16-31-24-19(23(20)34)6-14-30-24)15-22(35)33-27-10-7-26(8-11-27,9-12-27)25(29)36/h6,14,16-18H,1-5,7-12,15H2,(H2,29,36)(H,30,31)(H,33,35)/t17-,18-,26?,27?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50198018 (10,16-bis(hydroxymethyl)-4,14,18-triazaheptacyclo[...) Show SMILES OCC1Cn2c3ccccc3c3c4C(=O)NCc4c4c5cc(CO)ccc5n(C1)c4c23 |w:2.1| Show InChI InChI=1S/C25H21N3O3/c29-11-13-5-6-19-16(7-13)20-17-8-26-25(31)22(17)21-15-3-1-2-4-18(15)27-9-14(12-30)10-28(19)23(20)24(21)27/h1-7,14,29-30H,8-12H2,(H,26,31)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in Sf21 cells				Bioorg Med Chem Lett 17: 326-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.062 BindingDB Entry DOI: 10.7270/Q2JH3KTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50198005 (10,16-bis(hydroxymethyl)-22-[(1E)-3-(1H-imidazol-1...) Show SMILES OCC1Cn2c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(\C=C\Cn6ccnc6)ccc5n(C1)c4c23 |w:2.1| Show InChI InChI=1S/C31H27N5O3/c37-15-19-4-6-24-21(11-19)26-23-12-33-31(39)28(23)27-22-10-18(2-1-8-34-9-7-32-17-34)3-5-25(22)36-14-20(16-38)13-35(24)29(26)30(27)36/h1-7,9-11,17,20,37-38H,8,12-16H2,(H,33,39)/b2-1+	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in Sf21 cells				Bioorg Med Chem Lett 17: 326-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.062 BindingDB Entry DOI: 10.7270/Q2JH3KTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50295819 (12,13-(2,3-cis-dihydroxy-butan-1,4-yl)-12,13-dihyd...) Show SMILES O[C@H]1Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r| Show InChI InChI=1S/C24H17N3O4/c28-15-9-26-13-7-3-1-5-11(13)17-19-20(24(31)25-23(19)30)18-12-6-2-4-8-14(12)27(10-16(15)29)22(18)21(17)26/h1-8,15-16,28-29H,9-10H2,(H,25,30,31)/t15-,16+	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation				Bioorg Med Chem Lett 19: 3333-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.039 BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50224502 ((E)-2-(4-(2-methyl-1H-indol-3-yl)piperidin-1-yl)-2...) Show SMILES Cc1[nH]c2ccccc2c1C1CCN(CC1)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O |w:16.40| Show InChI InChI=1S/C30H32F3N3O3/c1-18-27(22-4-2-3-5-25(22)34-18)20-8-14-36(15-9-20)29(30(38)39)21-10-12-35(13-11-21)26(37)7-6-19-16-23(31)28(33)24(32)17-19/h2-7,16-17,20-21,29,34H,8-15H2,1H3,(H,38,39)/b7-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CCR2				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50224500 ((E)-2-(4-(5-amino-1H-indol-3-yl)piperidin-1-yl)-2-...) Show SMILES Nc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:14.36| Show InChI InChI=1S/C29H31F3N4O3/c30-23-13-17(14-24(31)27(23)32)1-4-26(37)35-9-7-19(8-10-35)28(29(38)39)36-11-5-18(6-12-36)22-16-34-25-3-2-20(33)15-21(22)25/h1-4,13-16,18-19,28,34H,5-12,33H2,(H,38,39)/b4-1+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CCR2				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50224496 ((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...) Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CCR2				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50224523 ((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...) Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2| Show InChI InChI=1S/C29H31Cl2N3O3/c30-24-7-5-19(17-25(24)31)6-8-27(35)33-13-11-21(12-14-33)28(29(36)37)34-15-9-20(10-16-34)23-18-32-26-4-2-1-3-22(23)26/h1-8,17-18,20-21,28,32H,9-16H2,(H,36,37)/b8-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CCR2				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50224511 ((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...) Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.24| Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CCR2				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM26198 (4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....) Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description An ELISA assay was used to determine the ability of inhibitor to inhibit JAK3 RTK activity. The compounds were incubated with enzyme, 10 uM ATP, and ...				J Med Chem 51: 7015-9 (2008) Article DOI: 10.1021/jm800662z BindingDB Entry DOI: 10.7270/Q2S75DP0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50295821 (12,13-(2-hydroxy-butan-1,4-yl)-12,13-dihydro-5,7-d...) Show SMILES OC1CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 Show InChI InChI=1S/C24H17N3O3/c28-12-9-10-26-15-7-3-1-5-13(15)17-19-20(24(30)25-23(19)29)18-14-6-2-4-8-16(14)27(11-12)22(18)21(17)26/h1-8,12,28H,9-11H2,(H,25,29,30)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation				Bioorg Med Chem Lett 19: 3333-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.039 BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527410 (CHEMBL4439418 | US10981911, Example 57) Show SMILES FC(F)(F)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:21.23,wD:24.27,(29.58,-41.12,;28.81,-42.46,;27.27,-42.46,;28.03,-41.11,;29.58,-43.79,;31.12,-43.79,;31.89,-45.12,;31.13,-46.45,;33.43,-45.12,;34.21,-46.45,;33.58,-47.85,;34.72,-48.87,;34.72,-50.42,;36.06,-51.19,;37.39,-50.42,;38.86,-50.9,;39.78,-49.64,;38.86,-48.39,;37.39,-48.87,;36.05,-48.11,;35.73,-46.61,;36.76,-45.46,;36.28,-44,;37.32,-42.86,;38.83,-43.18,;39.86,-42.04,;41.37,-42.36,;42.87,-42.7,;39.3,-44.65,;38.27,-45.79,)| Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)11-27-17(30)9-16-28-15-10-26-19-14(6-8-25-19)18(15)29(16)13-3-1-12(2-4-13)5-7-24/h6,8,10,12-13H,1-5,9,11H2,(H,25,26)(H,27,30)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM387824 (N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanom...) Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C#N |r,wU:23.26,wD:20.22,(-5.09,-2.66,;-5.49,-1.17,;-4,-1.57,;-4.72,.17,;-3.18,.17,;-2.41,1.5,;-3.18,2.83,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-7.03,-1.17,;-8.57,-1.17,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation				Bioorg Med Chem Lett 19: 3333-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.039 BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in Sf21 cells				Bioorg Med Chem Lett 17: 326-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.062 BindingDB Entry DOI: 10.7270/Q2JH3KTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50295809 (12,13-(2,3-Cis-dihyroxy-1,4-butyl)-6,7,12,13-tetra...) Show SMILES O[C@@H]1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C[C@@H]1O)c4c23 |r| Show InChI InChI=1S/C24H19N3O3/c28-17-10-26-15-7-3-1-5-12(15)19-14-9-25-24(30)21(14)20-13-6-2-4-8-16(13)27(11-18(17)29)23(20)22(19)26/h1-8,17-18,28-29H,9-11H2,(H,25,30)/t17-,18+/m1/s1	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation				Bioorg Med Chem Lett 19: 3333-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.039 BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527405 (CHEMBL4456630 | US10981911, Example 26) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N1CCC(CC1)N1CCOCC1 |r,wU:15.17,wD:18.21,(59.72,-29.37,;60.49,-28.03,;62.03,-28.03,;62.8,-29.36,;62.18,-30.76,;63.32,-31.78,;63.32,-33.33,;64.65,-34.1,;65.98,-33.33,;67.46,-33.81,;68.37,-32.55,;67.46,-31.3,;65.98,-31.78,;64.64,-31.02,;64.32,-29.52,;65.35,-28.37,;64.88,-26.92,;65.91,-25.77,;67.42,-26.09,;68.45,-24.95,;69.96,-25.28,;71.47,-25.61,;67.89,-27.56,;66.86,-28.7,;59.72,-26.7,;60.49,-25.37,;59.73,-24.04,;58.19,-24.03,;57.41,-25.37,;58.18,-26.71,;57.42,-22.7,;58.2,-21.37,;57.43,-20.04,;55.89,-20.03,;55.12,-21.36,;55.88,-22.7,)| Show InChI InChI=1S/C27H35N7O2/c28-9-5-19-1-3-21(4-2-19)34-24(31-23-18-30-27-22(26(23)34)6-10-29-27)17-25(35)33-11-7-20(8-12-33)32-13-15-36-16-14-32/h6,10,18-21H,1-5,7-8,11-17H2,(H,29,30)/t19-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50224524 ((E)-2-(4-(5-(methylsulfonamido)-1H-indol-3-yl)pipe...) Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:18.40| Show InChI InChI=1S/C30H33F3N4O5S/c1-43(41,42)35-21-3-4-26-22(16-21)23(17-34-26)19-6-12-37(13-7-19)29(30(39)40)20-8-10-36(11-9-20)27(38)5-2-18-14-24(31)28(33)25(32)15-18/h2-5,14-17,19-20,29,34-35H,6-13H2,1H3,(H,39,40)/b5-2+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CCR2				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM387821 (N-(2-Cyanoethyl)-2-(1-((1r,4r)-4-(cyanomethyl)cycl...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCC#N |r,wU:18.21,wD:15.17,(-3.18,.17,;-2.41,1.5,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-3.18,2.83,;-4.72,2.83,;-5.49,4.17,;-7.03,4.17,;-8.57,4.17,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
JAK3/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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL2-induced STAT5 phosphorylation pre-incubated for 30 mins before IL2 stimulation for...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50295810 (12,13-[2-carbomethoxy-1,4-but-cis-2-enyl]-6,7,12,1...) Show SMILES CC(=O)C1=CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 |w:4.4| Show InChI InChI=1S/C26H17N3O3/c1-13(30)14-10-11-28-17-8-4-2-6-15(17)19-21-22(26(32)27-25(21)31)20-16-7-3-5-9-18(16)29(12-14)24(20)23(19)28/h2-10H,11-12H2,1H3,(H,27,31,32)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation				Bioorg Med Chem Lett 19: 3333-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.039 BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50527410 (CHEMBL4439418 | US10981911, Example 57) Show SMILES FC(F)(F)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:21.23,wD:24.27,(29.58,-41.12,;28.81,-42.46,;27.27,-42.46,;28.03,-41.11,;29.58,-43.79,;31.12,-43.79,;31.89,-45.12,;31.13,-46.45,;33.43,-45.12,;34.21,-46.45,;33.58,-47.85,;34.72,-48.87,;34.72,-50.42,;36.06,-51.19,;37.39,-50.42,;38.86,-50.9,;39.78,-49.64,;38.86,-48.39,;37.39,-48.87,;36.05,-48.11,;35.73,-46.61,;36.76,-45.46,;36.28,-44,;37.32,-42.86,;38.83,-43.18,;39.86,-42.04,;41.37,-42.36,;42.87,-42.7,;39.3,-44.65,;38.27,-45.79,)| Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)11-27-17(30)9-16-28-15-10-26-19-14(6-8-25-19)18(15)29(16)13-3-1-12(2-4-13)5-7-24/h6,8,10,12-13H,1-5,9,11H2,(H,25,26)(H,27,30)/t12-,13-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL2-induced STAT5 phosphorylation pre-incubated for 30 mins before IL2 stimulation for...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527407 (CHEMBL4582390 | US10981911, Example 33) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:23.26,4.7,wD:26.30,1.0,(24.62,-9.21,;26.16,-9.22,;26.93,-10.55,;28.47,-10.56,;29.24,-9.23,;28.47,-7.89,;26.94,-7.89,;30.78,-9.23,;31.55,-10.56,;30.78,-11.9,;33.09,-10.56,;33.86,-11.89,;33.24,-13.29,;34.38,-14.31,;34.38,-15.86,;35.71,-16.63,;37.04,-15.86,;38.52,-16.34,;39.43,-15.08,;38.52,-13.83,;37.04,-14.31,;35.7,-13.55,;35.38,-12.05,;36.41,-10.9,;35.93,-9.45,;36.97,-8.3,;38.48,-8.62,;39.51,-7.48,;41.02,-7.81,;42.53,-8.14,;38.95,-10.09,;37.92,-11.23,)| Show InChI InChI=1S/C24H30N6O2/c25-11-9-15-1-5-17(6-2-15)30-21(13-22(32)28-16-3-7-18(31)8-4-16)29-20-14-27-24-19(23(20)30)10-12-26-24/h10,12,14-18,31H,1-9,13H2,(H,26,27)(H,28,32)/t15-,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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50224519 ((E)-2-(4-(6-chloro-1H-indol-3-yl)piperidin-1-yl)-2...) Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2cc(Cl)ccc12 |w:3.2| Show InChI InChI=1S/C29H29ClF3N3O3/c30-20-2-3-21-22(16-34-25(21)15-20)18-5-11-36(12-6-18)28(29(38)39)19-7-9-35(10-8-19)26(37)4-1-17-13-23(31)27(33)24(32)14-17/h1-4,13-16,18-19,28,34H,5-12H2,(H,38,39)/b4-1+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CCR2				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50295820 (12,13-(2-hydroxy-pentan-1,5-yl)-12,13-dihydro-5,7-...) Show SMILES OC1CCCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 Show InChI InChI=1S/C25H19N3O3/c29-13-6-5-11-27-16-9-3-1-7-14(16)18-20-21(25(31)26-24(20)30)19-15-8-2-4-10-17(15)28(12-13)23(19)22(18)27/h1-4,7-10,13,29H,5-6,11-12H2,(H,26,30,31)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation				Bioorg Med Chem Lett 19: 3333-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.039 BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
					More data for this Ligand-Target Pair
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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK3-JH1/JH2 domain (512 to 1124 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM387818 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.27,wD:21.23,(-4.33,5.71,;-5.1,4.37,;-6.64,4.37,;-5.87,5.71,;-4.33,3.04,;-5.1,1.71,;-4.33,.37,;-5.1,-.96,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50295818 (12,13-(2,3-cis-dihydroxy-pentan-1,5-yl)-12,13-dihy...) Show SMILES O[C@H]1CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r| Show InChI InChI=1S/C25H19N3O4/c29-16-9-10-27-14-7-3-1-5-12(14)18-20-21(25(32)26-24(20)31)19-13-6-2-4-8-15(13)28(11-17(16)30)23(19)22(18)27/h1-8,16-17,29-30H,9-11H2,(H,26,31,32)/t16-,17+/m0/s1	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation				Bioorg Med Chem Lett 19: 3333-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.039 BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50295817 (12,13-[2-carboxy-cis-2,3-dihydroxy-1,4-butyl]-6,7,...) Show SMILES O[C@@H]1Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@@]1(O)C(O)=O)c4c23 |r| Show InChI InChI=1S/C25H17N3O6/c29-15-9-27-13-7-3-1-5-11(13)16-18-19(23(31)26-22(18)30)17-12-6-2-4-8-14(12)28(21(17)20(16)27)10-25(15,34)24(32)33/h1-8,15,29,34H,9-10H2,(H,32,33)(H,26,30,31)/t15-,25+/m1/s1	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation				Bioorg Med Chem Lett 19: 3333-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.039 BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527406 (CHEMBL4588333 | US10981911, Example 45) Show SMILES Fc1ccc(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cc1 |r,wU:22.24,wD:25.28,(4.15,-4.61,;4.92,-5.95,;6.47,-5.94,;7.24,-7.28,;6.46,-8.6,;7.24,-9.93,;8.78,-9.93,;9.55,-11.26,;8.78,-12.6,;11.09,-11.26,;11.86,-12.6,;11.24,-14,;12.38,-15.02,;12.38,-16.56,;13.71,-17.33,;15.04,-16.56,;16.52,-17.04,;17.43,-15.79,;16.52,-14.53,;15.04,-15.01,;13.7,-14.25,;13.38,-12.75,;14.41,-11.61,;13.94,-10.15,;14.97,-9,;16.48,-9.33,;17.52,-8.18,;19.02,-8.51,;20.53,-8.84,;16.95,-10.79,;15.93,-11.93,;4.93,-8.62,;4.16,-7.29,)| Show InChI InChI=1S/C25H25FN6O/c26-18-5-1-17(2-6-18)14-29-23(33)13-22-31-21-15-30-25-20(10-12-28-25)24(21)32(22)19-7-3-16(4-8-19)9-11-27/h1-2,5-6,10,12,15-16,19H,3-4,7-9,13-14H2,(H,28,30)(H,29,33)/t16-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50527408 (CHEMBL4437638 | US10981911, Example 94) Show SMILES O=C(CC1CC1)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:20.23,wD:23.27,(54.26,-42.75,;53.5,-44.08,;51.96,-44.08,;51.18,-42.75,;51.17,-41.21,;49.84,-41.99,;54.27,-45.41,;55.81,-45.41,;56.58,-46.75,;55.96,-48.15,;57.1,-49.17,;57.1,-50.71,;58.43,-51.48,;59.76,-50.71,;61.24,-51.19,;62.15,-49.94,;61.24,-48.68,;59.76,-49.16,;58.42,-48.4,;58.1,-46.9,;59.13,-45.76,;58.66,-44.3,;59.69,-43.15,;61.2,-43.48,;62.23,-42.33,;63.74,-42.66,;65.25,-42.99,;61.67,-44.94,;60.65,-46.08,)| Show InChI InChI=1S/C22H26N6O/c23-9-7-14-3-5-16(6-4-14)28-19(13-25-20(29)11-15-1-2-15)27-18-12-26-22-17(21(18)28)8-10-24-22/h8,10,12,14-16H,1-7,11,13H2,(H,24,26)(H,25,29)/t14-,16-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL2-induced STAT5 phosphorylation pre-incubated for 30 mins before IL2 stimulation for...				J Med Chem 63: 2915-2929 (2020) Article DOI: 10.1021/acs.jmedchem.9b01439 BindingDB Entry DOI: 10.7270/Q2H135FN
					More data for this Ligand-Target Pair

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