Compile Data Set for Download or QSAR
Found 1769 with Last Name = 'brown' and Initial = 'dg'
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545960(CHEMBL4740778)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C17H12ClF2N7O2/c18-8-2-3-11(29-17(19)20)9(6-8)13-10(7-23-25-13)24-16(28)12-14(21)26-27-5-1-4-22-15(12)27/h1-7,17H,(H2,21,26)(H,23,25)(H,24,28)
Affinity DataKi:  0.0420nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545980(CHEMBL4764019)
Show SMILES FC(F)Oc1ccc(I)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11F2IN6O2/c18-17(19)28-13-3-2-9(20)6-10(13)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.0450nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545979(CHEMBL4742159)
Show SMILES FC(F)Oc1ccc(Br)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11BrF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.0470nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545987(CHEMBL4746726)
Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H12F2N8O2/c19-18(20)30-14-5-12-9(6-22-26-12)4-10(14)15-13(8-23-27-15)25-17(29)11-7-24-28-3-1-2-21-16(11)28/h1-8,18H,(H,22,26)(H,23,27)(H,25,29)
Affinity DataKi:  0.0520nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545986(CHEMBL4789075)
Show SMILES Oc1cc(OC(F)F)c(cc1Cl)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11ClF2N6O3/c18-10-4-8(13(5-12(10)27)29-17(19)20)14-11(7-22-25-14)24-16(28)9-6-23-26-3-1-2-21-15(9)26/h1-7,17,27H,(H,22,25)(H,24,28)
Affinity DataKi:  0.0570nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545961(CHEMBL4793262)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2cccnn12
Show InChI InChI=1S/C17H11ClF2N6O2/c18-9-3-4-13(28-17(19)20)10(6-9)15-11(7-22-25-15)24-16(27)12-8-21-14-2-1-5-23-26(12)14/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.0710nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545944(CHEMBL4744172)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11ClF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.0710nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545987(CHEMBL4746726)
Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H12F2N8O2/c19-18(20)30-14-5-12-9(6-22-26-12)4-10(14)15-13(8-23-27-15)25-17(29)11-7-24-28-3-1-2-21-16(11)28/h1-8,18H,(H,22,26)(H,23,27)(H,25,29)
Affinity DataKi:  0.0750nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545964(CHEMBL4746416)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2ccc(nn12)C#C
Show InChI InChI=1S/C19H11ClF2N6O2/c1-2-11-4-6-16-23-9-14(28(16)27-11)18(29)25-13-8-24-26-17(13)12-7-10(20)3-5-15(12)30-19(21)22/h1,3-9,19H,(H,24,26)(H,25,29)
Affinity DataKi:  0.0780nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545965(CHEMBL4788860)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1snc2cccnc12
Show InChI InChI=1S/C17H10ClF2N5O2S/c18-8-3-4-12(27-17(19)20)9(6-8)13-11(7-22-24-13)23-16(26)15-14-10(25-28-15)2-1-5-21-14/h1-7,17H,(H,22,24)(H,23,26)
Affinity DataKi:  0.0850nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545945(CHEMBL4777342)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C18H13ClF2N6O2/c1-26-9-13(24-17(28)12-8-23-27-6-2-5-22-16(12)27)15(25-26)11-7-10(19)3-4-14(11)29-18(20)21/h2-9,18H,1H3,(H,24,28)
Affinity DataKi:  0.0880nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545963(CHEMBL4760406)
Show SMILES Cc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3OC(F)F)c2n1
Show InChI InChI=1S/C18H13ClF2N6O2/c1-9-4-5-27-16(24-9)12(7-23-27)17(28)25-13-8-22-26-15(13)11-6-10(19)2-3-14(11)29-18(20)21/h2-8,18H,1H3,(H,22,26)(H,25,28)
Affinity DataKi:  0.100nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545986(CHEMBL4789075)
Show SMILES Oc1cc(OC(F)F)c(cc1Cl)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11ClF2N6O3/c18-10-4-8(13(5-12(10)27)29-17(19)20)14-11(7-22-25-14)24-16(28)9-6-23-26-3-1-2-21-15(9)26/h1-7,17,27H,(H,22,25)(H,24,28)
Affinity DataKi:  0.110nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545979(CHEMBL4742159)
Show SMILES FC(F)Oc1ccc(Br)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11BrF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.120nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM521911(N-[3-[3-(difluoromethoxy)-2- naphthyl]-1H-pyrazol-...)
Show SMILES FC(F)Oc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H14F2N6O2/c22-21(23)31-17-9-13-5-2-1-4-12(13)8-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-7-3-6-24-19(15)29/h1-11,21H,(H,25,28)(H,27,30)
Affinity DataKi:  0.140nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545980(CHEMBL4764019)
Show SMILES FC(F)Oc1ccc(I)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11F2IN6O2/c18-17(19)28-13-3-2-9(20)6-10(13)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.150nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545985(CHEMBL4740223)
Show SMILES COc1cc(O)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H13ClN6O3/c1-27-14-6-13(25)11(18)5-9(14)15-12(8-20-23-15)22-17(26)10-7-21-24-4-2-3-19-16(10)24/h2-8,25H,1H3,(H,20,23)(H,22,26)
Affinity DataKi:  0.160nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545982(CHEMBL4756876)
Show SMILES FC(F)Oc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H10ClF3N6O2/c18-9-2-3-11(29-17(20)21)12(13(9)19)14-10(7-23-26-14)25-16(28)8-6-24-27-5-1-4-22-15(8)27/h1-7,17H,(H,23,26)(H,25,28)
Affinity DataKi:  0.160nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545969(CHEMBL4780070)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2scnc12
Show InChI InChI=1S/C17H10ClF2N5O2S/c18-8-1-2-12(27-17(19)20)9(3-8)14-11(5-23-25-14)24-16(26)10-4-21-6-13-15(10)22-7-28-13/h1-7,17H,(H,23,25)(H,24,26)
Affinity DataKi:  0.170nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545976(CHEMBL4798728)
Show SMILES FC(F)Oc1ccc(F)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11F3N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.190nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545960(CHEMBL4740778)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C17H12ClF2N7O2/c18-8-2-3-11(29-17(19)20)9(6-8)13-10(7-23-25-13)24-16(28)12-14(21)26-27-5-1-4-22-15(12)27/h1-7,17H,(H2,21,26)(H,23,25)(H,24,28)
Affinity DataKi:  0.190nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545978(CHEMBL4757833)
Show SMILES CCc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H16F2N6O2/c1-2-11-4-5-15(29-19(20)21)12(8-11)16-14(10-23-26-16)25-18(28)13-9-24-27-7-3-6-22-17(13)27/h3-10,19H,2H2,1H3,(H,23,26)(H,25,28)
Affinity DataKi:  0.190nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM521940(N-[3-(6-methoxy-1H-indazol- 5-yl)-1H-pyrazol-4- yl...)
Show SMILES COc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14N8O2/c1-28-15-6-13-10(7-20-24-13)5-11(15)16-14(9-21-25-16)23-18(27)12-8-22-26-4-2-3-19-17(12)26/h2-9H,1H3,(H,20,24)(H,21,25)(H,23,27)
Affinity DataKi:  0.200nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545944(CHEMBL4744172)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11ClF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.210nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545961(CHEMBL4793262)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2cccnn12
Show InChI InChI=1S/C17H11ClF2N6O2/c18-9-3-4-13(28-17(19)20)10(6-9)15-11(7-22-25-15)24-16(27)12-8-21-14-2-1-5-23-26(12)14/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.210nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545945(CHEMBL4777342)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C18H13ClF2N6O2/c1-26-9-13(24-17(28)12-8-23-27-6-2-5-22-16(12)27)15(25-26)11-7-10(19)3-4-14(11)29-18(20)21/h2-9,18H,1H3,(H,24,28)
Affinity DataKi:  0.210nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545958(CHEMBL4778284)
Show SMILES FC(F)Sc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11ClF2N6OS/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataKi:  0.230nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545957(CHEMBL4750979)
Show SMILES CSc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H15ClN6OS/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26)
Affinity DataKi:  0.230nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545975(CHEMBL4784721)
Show SMILES FC(F)Oc1ccc(cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C18H11F2N7O2/c19-18(20)29-14-3-2-10(7-21)6-11(14)15-13(9-23-26-15)25-17(28)12-8-24-27-5-1-4-22-16(12)27/h1-6,8-9,18H,(H,23,26)(H,25,28)
Affinity DataKi:  0.270nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545951(CHEMBL4756764)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1C1CC1
Show InChI InChI=1S/C20H17ClN6O/c1-26-11-17(24-20(28)16-10-23-27-8-2-7-22-19(16)27)18(25-26)15-9-13(21)5-6-14(15)12-3-4-12/h2,5-12H,3-4H2,1H3,(H,24,28)
Affinity DataKi:  0.280nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545964(CHEMBL4746416)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2ccc(nn12)C#C
Show InChI InChI=1S/C19H11ClF2N6O2/c1-2-11-4-6-16-23-9-14(28(16)27-11)18(29)25-13-8-24-26-17(13)12-7-10(20)3-5-15(12)30-19(21)22/h1,3-9,19H,(H,24,26)(H,25,29)
Affinity DataKi:  0.290nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545981(CHEMBL4794915)
Show SMILES COc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H12ClFN6O2/c1-27-12-4-3-10(18)14(19)13(12)15-11(8-21-24-15)23-17(26)9-7-22-25-6-2-5-20-16(9)25/h2-8H,1H3,(H,21,24)(H,23,26)
Affinity DataKi:  0.290nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHistamine H3 receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50496270(CHEMBL3127679)
Show SMILES CC(C)N1CCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C1CCOCC1
Show InChI InChI=1S/C21H37N3O2/c1-17(2)22-9-11-24(12-10-22)20(25)18-15-21(16-18)5-7-23(8-6-21)19-3-13-26-14-4-19/h17-19H,3-16H2,1-2H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM521940(N-[3-(6-methoxy-1H-indazol- 5-yl)-1H-pyrazol-4- yl...)
Show SMILES COc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14N8O2/c1-28-15-6-13-10(7-20-24-13)5-11(15)16-14(9-21-25-16)23-18(27)12-8-22-26-4-2-3-19-17(12)26/h2-9H,1H3,(H,20,24)(H,21,25)(H,23,27)
Affinity DataKi:  0.300nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Homo sapiens (Human))
AstraZeneca Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130561((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
Affinity DataKi:  0.300nMAssay Description:Binding affinity to kappa opioid receptorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM521911(N-[3-[3-(difluoromethoxy)-2- naphthyl]-1H-pyrazol-...)
Show SMILES FC(F)Oc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H14F2N6O2/c22-21(23)31-17-9-13-5-2-1-4-12(13)8-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-7-3-6-24-19(15)29/h1-11,21H,(H,25,28)(H,27,30)
Affinity DataKi:  0.310nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545985(CHEMBL4740223)
Show SMILES COc1cc(O)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H13ClN6O3/c1-27-14-6-13(25)11(18)5-9(14)15-12(8-20-23-15)22-17(26)10-7-21-24-4-2-3-19-16(10)24/h2-8,25H,1H3,(H,20,23)(H,22,26)
Affinity DataKi:  0.310nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM521938(N-[3-(3-methoxy-2-naphthyl)- 1H-pyrazol-4-yl]pyraz...)
Show SMILES COc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H16N6O2/c1-29-18-10-14-6-3-2-5-13(14)9-15(18)19-17(12-23-26-19)25-21(28)16-11-24-27-8-4-7-22-20(16)27/h2-12H,1H3,(H,23,26)(H,25,28)
Affinity DataKi:  0.340nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545977(CHEMBL4760135)
Show SMILES Cc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14F2N6O2/c1-10-3-4-14(28-18(19)20)11(7-10)15-13(9-22-25-15)24-17(27)12-8-23-26-6-2-5-21-16(12)26/h2-9,18H,1H3,(H,22,25)(H,24,27)
Affinity DataKi:  0.340nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50399019(CHEMBL2178801)
Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H15ClN6O2/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26)
Affinity DataKi:  0.350nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545952(CHEMBL4800012)
Show SMILES COc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H13ClN6O2/c1-26-14-4-3-10(18)7-11(14)15-13(9-20-23-15)22-17(25)12-8-21-24-6-2-5-19-16(12)24/h2-9H,1H3,(H,20,23)(H,22,25)
Affinity DataKi:  0.360nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM14774(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
Affinity DataKi:  0.398nMAssay Description:Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50399021(CHEMBL2178799 | US8999998, 28)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H12Cl2N6O/c1-24-9-14(15(23-24)11-7-10(18)3-4-13(11)19)22-17(26)12-8-21-25-6-2-5-20-16(12)25/h2-9H,1H3,(H,22,26)
Affinity DataKi:  0.420nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
TargetCarboxypeptidase B(Sus scrofa)
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50201438((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
Affinity DataKi:  0.420nMAssay Description:Inhibition of porcine pancreatic carboxypeptidase BMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM153667(US8999998, 170)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14ClN5O2S/c1-10-22-15(12-8-11(19)4-5-14(12)26-2)18(27-10)23-17(25)13-9-21-24-7-3-6-20-16(13)24/h3-9H,1-2H3,(H,23,25)
Affinity DataKi:  0.450nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545954(CHEMBL4762168)
Show SMILES Clc1ccc(OC2CC2)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H15ClN6O2/c20-11-2-5-16(28-12-3-4-12)13(8-11)17-15(10-22-25-17)24-19(27)14-9-23-26-7-1-6-21-18(14)26/h1-2,5-10,12H,3-4H2,(H,22,25)(H,24,27)
Affinity DataKi:  0.450nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545957(CHEMBL4750979)
Show SMILES CSc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H15ClN6OS/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26)
Affinity DataKi:  0.460nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545965(CHEMBL4788860)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1snc2cccnc12
Show InChI InChI=1S/C17H10ClF2N5O2S/c18-8-3-4-12(27-17(19)20)9(6-8)13-11(7-22-24-13)23-16(26)15-14-10(25-28-15)2-1-5-21-14/h1-7,17H,(H,22,24)(H,23,26)
Affinity DataKi:  0.470nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545956(CHEMBL4790609)
Show SMILES FC(F)(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H10ClF3N6O2/c18-9-2-3-13(29-17(19,20)21)10(6-9)14-12(8-23-26-14)25-16(28)11-7-24-27-5-1-4-22-15(11)27/h1-8H,(H,23,26)(H,25,28)
Affinity DataKi:  0.490nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Genentech Inc

Curated by ChEMBL
LigandPNGBDBM50545946(CHEMBL4760562)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2c[nH]nc12
Show InChI InChI=1S/C17H11ClF2N6O2/c18-9-1-2-13(28-17(19)20)10(3-9)15-12(7-23-26-15)24-16(27)11-6-21-4-8-5-22-25-14(8)11/h1-7,17H,(H,22,25)(H,23,26)(H,24,27)
Affinity DataKi:  0.490nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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