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Compile Data Set for Download or QSAR

Found 219 hits with Last Name = 'batchelor' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083639
PNG
(CHEMBL112346 | {4-[6-((S)-3-Ethyl-piperazin-1-yl)-...)
Show SMILES CC[C@H]1CN(CCN1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C24H30N6O3/c1-5-17-15-30(11-10-25-17)22-7-6-16(14-27-22)19-8-9-26-24(29-19)28-18-12-20(31-2)23(33-4)21(13-18)32-3/h6-9,12-14,17,25H,5,10-11,15H2,1-4H3,(H,26,28,29)/t17-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295759
PNG
(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-6-(...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)n1ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C20H18ClN7O2S2/c21-18-19(26-7-8-31-20(26)25-18)32(29,30)28-6-3-16-17(28)9-13(10-23-16)14-11-24-27(12-14)15-1-4-22-5-2-15/h3,6-12,15,22H,1-2,4-5H2
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n/an/a 9n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295752
PNG
(4-(6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1H-pyrro...)
Show SMILES O=S(=O)(c1cccc2nonc12)n1ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H19N7O3S/c29-32(30,20-3-1-2-18-21(20)26-31-25-18)28-9-6-17-19(28)10-14(11-23-17)15-12-24-27(13-15)16-4-7-22-8-5-16/h1-3,6,9-13,16,22H,4-5,7-8H2
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n/an/a 9n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295760
PNG
(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-1H-...)
Show SMILES Nc1cnc2ccn(c2c1)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C12H8ClN5O2S2/c13-10-11(17-3-4-21-12(17)16-10)22(19,20)18-2-1-8-9(18)5-7(14)6-15-8/h1-6H,14H2
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n/an/a 10n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295754
PNG
((4-(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-p...)
Show SMILES O=C(N1CCN(CC1)c1cnc2ccn(c2c1)S(=O)(=O)c1cccc2nonc12)c1cccnc1
Show InChI InChI=1S/C23H19N7O4S/c31-23(16-3-2-7-24-14-16)29-11-9-28(10-12-29)17-13-20-18(25-15-17)6-8-30(20)35(32,33)21-5-1-4-19-22(21)27-34-26-19/h1-8,13-15H,9-12H2
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n/an/a 11n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083638
PNG
((S)-4-(6-(3-methylpiperazin-1-yl)pyridin-3-yl)-N-(...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCN[C@@H](C)C2)cc(OC)c1OC |r|
Show InChI InChI=1S/C23H28N6O3/c1-15-14-29(10-9-24-15)21-6-5-16(13-26-21)18-7-8-25-23(28-18)27-17-11-19(30-2)22(32-4)20(12-17)31-3/h5-8,11-13,15,24H,9-10,14H2,1-4H3,(H,25,27,28)/t15-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295755
PNG
(1-(4-(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2ccn(c2c1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C19H18N6O4S/c1-13(26)23-7-9-24(10-8-23)14-11-17-15(20-12-14)5-6-25(17)30(27,28)18-4-2-3-16-19(18)22-29-21-16/h2-6,11-12H,7-10H2,1H3
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n/an/a 12n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295756
PNG
(1-(4-(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H...)
Show SMILES CNCC(=O)N1CCN(CC1)c1cnc2ccn(c2c1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C20H21N7O4S/c1-21-13-19(28)26-9-7-25(8-10-26)14-11-17-15(22-12-14)5-6-27(17)32(29,30)18-4-2-3-16-20(18)24-31-23-16/h2-6,11-12,21H,7-10,13H2,1H3
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n/an/a 14n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295750
PNG
(4-(6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-p...)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2ccn(c2c1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C23H21N7O3S/c1-28-9-11-29(12-10-28)22-6-5-16(14-25-22)17-13-20-18(24-15-17)7-8-30(20)34(31,32)21-4-2-3-19-23(21)27-33-26-19/h2-8,13-15H,9-12H2,1H3
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n/an/a 15n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295761
PNG
(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-1H-...)
Show SMILES Oc1cnc2ccn(c2c1)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C12H7ClN4O3S2/c13-10-11(16-3-4-21-12(16)15-10)22(19,20)17-2-1-8-9(17)5-7(18)6-14-8/h1-6,18H
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n/an/a 15n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295753
PNG
(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-pyrro...)
Show SMILES Nc1cnc2ccn(c2c1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C13H9N5O3S/c14-8-6-11-9(15-7-8)4-5-18(11)22(19,20)12-3-1-2-10-13(12)17-21-16-10/h1-7H,14H2
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n/an/a 16n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50265989
PNG
(CHEMBL462707 | N-(3-(4-methylpiperazin-1-yl)-7-(tr...)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2n1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N6O4S/c1-27-5-7-28(8-6-27)18-12-24-16-9-13(20(21,22)23)10-17(19(16)25-18)26-34(32,33)15-4-2-3-14(11-15)29(30)31/h2-4,9-12,26H,5-8H2,1H3
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n/an/a 17n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 397-400 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.062
BindingDB Entry DOI: 10.7270/Q2ZC82QC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50262463
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-7,7-di...)
Show SMILES CC1(C)CNC(=O)c2sc(nc2C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H26N4O2S/c1-22(2)10-18-19(20(27)24-13-22)29-21(25-18)26-7-8-28-12-15(26)9-14-11-23-17-6-4-3-5-16(14)17/h3-6,11,15,23H,7-10,12-13H2,1-2H3,(H,24,27)/t15-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295767
PNG
(4-((6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1H-pyrr...)
Show SMILES C(c1cccc2nonc12)n1ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C22H21N7O/c1-2-15(22-20(3-1)26-30-27-22)13-28-9-6-19-21(28)10-16(11-24-19)17-12-25-29(14-17)18-4-7-23-8-5-18/h1-3,6,9-12,14,18,23H,4-5,7-8,13H2
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n/an/a 19n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295764
PNG
(1-benzyl-1H-pyrrolo[3,2-b]pyridine | CHEMBL561256)
Show SMILES C(c1ccccc1)n1ccc2ncccc12
Show InChI InChI=1S/C14H12N2/c1-2-5-12(6-3-1)11-16-10-8-13-14(16)7-4-9-15-13/h1-10H,11H2
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n/an/a 19n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295763
PNG
(CHEMBL564440 | tert-butyl 4-(4-(1-(6-chloroimidazo...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc2ccn(c2c1)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C25H26ClN7O4S2/c1-25(2,3)37-24(34)30-7-4-18(5-8-30)32-15-17(14-28-32)16-12-20-19(27-13-16)6-9-33(20)39(35,36)22-21(26)29-23-31(22)10-11-38-23/h6,9-15,18H,4-5,7-8H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295748
PNG
(1-(2-nitrophenylsulfonyl)-6-(piperazin-1-yl)-1H-py...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)n1ccc2ncc(cc12)N1CCNCC1
Show InChI InChI=1S/C17H17N5O4S/c23-22(24)15-3-1-2-4-17(15)27(25,26)21-8-5-14-16(21)11-13(12-19-14)20-9-6-18-7-10-20/h1-5,8,11-12,18H,6-7,9-10H2
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n/an/a 20n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295747
PNG
(CHEMBL556627 | tert-butyl 4-(1-(2-nitrophenylsulfo...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cnc2ccn(c2c1)S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C22H25N5O6S/c1-22(2,3)33-21(28)25-12-10-24(11-13-25)16-14-19-17(23-15-16)8-9-26(19)34(31,32)20-7-5-4-6-18(20)27(29)30/h4-9,14-15H,10-13H2,1-3H3
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295735
PNG
(1-(2-nitrophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridin...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)n1ccc2ncccc12
Show InChI InChI=1S/C13H9N3O4S/c17-16(18)12-4-1-2-6-13(12)21(19,20)15-9-7-10-11(15)5-3-8-14-10/h1-9H
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n/an/a 20n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295749
PNG
(4-(1H-pyrrolo[3,2-b]pyridin-1-ylsulfonyl)benzo[c][...)
Show SMILES O=S(=O)(c1cccc2nonc12)n1ccc2ncccc12
Show InChI InChI=1S/C13H8N4O3S/c18-21(19,12-5-1-3-10-13(12)16-20-15-10)17-8-6-9-11(17)4-2-7-14-9/h1-8H
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n/an/a 22n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295751
PNG
(4-(6-(piperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-1-y...)
Show SMILES O=S(=O)(c1cccc2nonc12)n1ccc2ncc(cc12)N1CCNCC1
Show InChI InChI=1S/C17H16N6O3S/c24-27(25,16-3-1-2-14-17(16)21-26-20-14)23-7-4-13-15(23)10-12(11-19-13)22-8-5-18-6-9-22/h1-4,7,10-11,18H,5-6,8-9H2
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n/an/a 23n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295758
PNG
(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-6-(...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)n1ccc2ncc(cc12)N1CCNCC1
Show InChI InChI=1S/C16H15ClN6O2S2/c17-14-15(22-7-8-26-16(22)20-14)27(24,25)23-4-1-12-13(23)9-11(10-19-12)21-5-2-18-3-6-21/h1,4,7-10,18H,2-3,5-6H2
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n/an/a 24n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083649
PNG
(CHEMBL112518 | {4-[6-(3-Methyl-piperazin-1-yl)-pyr...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNC(C)C2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-15-14-29(10-9-24-15)21-6-5-16(13-26-21)18-7-8-25-23(28-18)27-17-11-19(30-2)22(32-4)20(12-17)31-3/h5-8,11-13,15,24H,9-10,14H2,1-4H3,(H,25,27,28)
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n/an/a 26n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295762
PNG
(CHEMBL550158 | tert-butyl 4-(1-(6-chloroimidazo[2,...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cnc2ccn(c2c1)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C21H23ClN6O4S2/c1-21(2,3)32-20(29)26-8-6-25(7-9-26)14-12-16-15(23-13-14)4-5-28(16)34(30,31)18-17(22)24-19-27(18)10-11-33-19/h4-5,10-13H,6-9H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083640
PNG
(CHEMBL112172 | [4-(6-[1,4]Diazepan-1-yl-pyridin-3-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-30-19-13-17(14-20(31-2)22(19)32-3)27-23-25-9-7-18(28-23)16-5-6-21(26-15-16)29-11-4-8-24-10-12-29/h5-7,9,13-15,24H,4,8,10-12H2,1-3H3,(H,25,27,28)
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n/an/a 31n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50266023
PNG
(CHEMBL515659 | N-(benzo[c][1,2,5]oxadiazol-4-ylmet...)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(NCc3cccc4nonc34)c2n1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O/c1-30-5-7-31(8-6-30)18-12-26-17-10-14(21(22,23)24)9-16(20(17)27-18)25-11-13-3-2-4-15-19(13)29-32-28-15/h2-4,9-10,12,25H,5-8,11H2,1H3
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n/an/a 31n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 397-400 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.062
BindingDB Entry DOI: 10.7270/Q2ZC82QC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50262463
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-7,7-di...)
Show SMILES CC1(C)CNC(=O)c2sc(nc2C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H26N4O2S/c1-22(2)10-18-19(20(27)24-13-22)29-21(25-18)26-7-8-28-12-15(26)9-14-11-23-17-6-4-3-5-16(14)17/h3-6,11,15,23H,7-10,12-13H2,1-2H3,(H,24,27)/t15-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295769
PNG
(CHEMBL564827 | tert-butyl 4-(4-(1-(benzo[c][1,2,5]...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc2ccn(Cc3cccc4nonc34)c2c1
Show InChI InChI=1S/C27H29N7O3/c1-27(2,3)36-26(35)32-10-7-21(8-11-32)34-17-20(15-29-34)19-13-24-22(28-14-19)9-12-33(24)16-18-5-4-6-23-25(18)31-37-30-23/h4-6,9,12-15,17,21H,7-8,10-11,16H2,1-3H3
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n/an/a 33n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295757
PNG
(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-1H-...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)n1ccc2ncccc12
Show InChI InChI=1S/C12H7ClN4O2S2/c13-10-11(16-6-7-20-12(16)15-10)21(18,19)17-5-3-8-9(17)2-1-4-14-8/h1-7H
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n/an/a 35n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50262460
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-di...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H25N3O2S/c1-22(2)10-18-20(19(26)11-22)28-21(24-18)25-7-8-27-13-15(25)9-14-12-23-17-6-4-3-5-16(14)17/h3-6,12,15,23H,7-11,13H2,1-2H3/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50265954
PNG
(3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(tr...)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2n1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O2/c1-28-5-7-29(8-6-28)19-13-26-18-11-15(21(22,23)24)10-17(20(18)27-19)25-12-14-3-2-4-16(9-14)30(31)32/h2-4,9-11,13,25H,5-8,12H2,1H3
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n/an/a 35n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 397-400 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.062
BindingDB Entry DOI: 10.7270/Q2ZC82QC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083648
PNG
(CHEMBL420672 | {4-[6-(4-Methyl-piperazin-1-yl)-pyr...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCN(C)CC2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N6O3/c1-28-9-11-29(12-10-28)21-6-5-16(15-25-21)18-7-8-24-23(27-18)26-17-13-19(30-2)22(32-4)20(14-17)31-3/h5-8,13-15H,9-12H2,1-4H3,(H,24,26,27)
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n/an/a 46n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50262460
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-di...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H25N3O2S/c1-22(2)10-18-20(19(26)11-22)28-21(24-18)25-7-8-27-13-15(25)9-14-12-23-17-6-4-3-5-16(14)17/h3-6,12,15,23H,7-11,13H2,1-2H3/t15-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50262460
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-di...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H25N3O2S/c1-22(2)10-18-20(19(26)11-22)28-21(24-18)25-7-8-27-13-15(25)9-14-12-23-17-6-4-3-5-16(14)17/h3-6,12,15,23H,7-11,13H2,1-2H3/t15-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083644
PNG
(CHEMBL322066 | [4-(6-Piperazin-1-yl-pyridin-3-yl)-...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNCC2)cc(OC)c1OC
Show InChI InChI=1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27)
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n/an/a 54n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50265987
PNG
(3-(4-methylpiperazin-1-yl)-N-(4-nitrobenzyl)-7-(tr...)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(NCc3ccc(cc3)[N+]([O-])=O)c2n1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O2/c1-28-6-8-29(9-7-28)19-13-26-18-11-15(21(22,23)24)10-17(20(18)27-19)25-12-14-2-4-16(5-3-14)30(31)32/h2-5,10-11,13,25H,6-9,12H2,1H3
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n/an/a 55n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 397-400 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.062
BindingDB Entry DOI: 10.7270/Q2ZC82QC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50262463
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-7,7-di...)
Show SMILES CC1(C)CNC(=O)c2sc(nc2C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H26N4O2S/c1-22(2)10-18-19(20(27)24-13-22)29-21(25-18)26-7-8-28-12-15(26)9-14-11-23-17-6-4-3-5-16(14)17/h3-6,11,15,23H,7-10,12-13H2,1-2H3,(H,24,27)/t15-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50262462
PNG
((S)-2-(3-(benzo[b]thiophen-3-ylmethyl)morpholino)-...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1csc2ccccc12 |r|
Show InChI InChI=1S/C22H24N2O2S2/c1-22(2)10-17-20(18(25)11-22)28-21(23-17)24-7-8-26-12-15(24)9-14-13-27-19-6-4-3-5-16(14)19/h3-6,13,15H,7-12H2,1-2H3/t15-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50262461
PNG
(2-(3-((1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)morpho...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOCC1Cc1c[nH]c2ncccc12
Show InChI InChI=1S/C21H24N4O2S/c1-21(2)9-16-18(17(26)10-21)28-20(24-16)25-6-7-27-12-14(25)8-13-11-23-19-15(13)4-3-5-22-19/h3-5,11,14H,6-10,12H2,1-2H3,(H,22,23)
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n/an/a 63n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295734
PNG
(1-(3-nitrophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridin...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1ccc2ncccc12
Show InChI InChI=1S/C13H9N3O4S/c17-16(18)10-3-1-4-11(9-10)21(19,20)15-8-6-12-13(15)5-2-7-14-12/h1-9H
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n/an/a 70n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50262461
PNG
(2-(3-((1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)morpho...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOCC1Cc1c[nH]c2ncccc12
Show InChI InChI=1S/C21H24N4O2S/c1-21(2)9-16-18(17(26)10-21)28-20(24-16)25-6-7-27-12-14(25)8-13-11-23-19-15(13)4-3-5-22-19/h3-5,11,14H,6-10,12H2,1-2H3,(H,22,23)
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n/an/a 74n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295742
PNG
(3-(2-nitrophenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)c1c[nH]c2ncccc12
Show InChI InChI=1S/C13H9N3O4S/c17-16(18)10-5-1-2-6-11(10)21(19,20)12-8-15-13-9(12)4-3-7-14-13/h1-8H,(H,14,15)
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n/an/a 75n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295745
PNG
(1-(2-nitrophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridin...)
Show SMILES NC(=O)c1cnc2ccn(c2c1)S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19)
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n/an/a 82n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295759
PNG
(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-6-(...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)n1ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C20H18ClN7O2S2/c21-18-19(26-7-8-31-20(26)25-18)32(29,30)28-6-3-16-17(28)9-13(10-23-16)14-11-24-27(12-14)15-1-4-22-5-2-15/h3,6-12,15,22H,1-2,4-5H2
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n/an/a 90n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of c-Met phosphorylation in human A549 cells after 1 hr


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295731
PNG
(1-(2,3-dichlorophenylsulfonyl)-1H-pyrrolo[3,2-b]py...)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)n1ccc2ncccc12
Show InChI InChI=1S/C13H8Cl2N2O2S/c14-9-3-1-5-12(13(9)15)20(18,19)17-8-6-10-11(17)4-2-7-16-10/h1-8H
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n/an/a 100n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged c-Met by TR-FRET assay


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50262461
PNG
(2-(3-((1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)morpho...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOCC1Cc1c[nH]c2ncccc12
Show InChI InChI=1S/C21H24N4O2S/c1-21(2)9-16-18(17(26)10-21)28-20(24-16)25-6-7-27-12-14(25)8-13-11-23-19-15(13)4-3-5-22-19/h3-5,11,14H,6-10,12H2,1-2H3,(H,22,23)
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n/an/a 107n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295759
PNG
(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-6-(...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)n1ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C20H18ClN7O2S2/c21-18-19(26-7-8-31-20(26)25-18)32(29,30)28-6-3-16-17(28)9-13(10-23-16)14-11-24-27(12-14)15-1-4-22-5-2-15/h3,6-12,15,22H,1-2,4-5H2
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n/an/a 110n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of c-Met phosphorylation in human MKN45 cells after 1 hr


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50295762
PNG
(CHEMBL550158 | tert-butyl 4-(1-(6-chloroimidazo[2,...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cnc2ccn(c2c1)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C21H23ClN6O4S2/c1-21(2,3)32-20(29)26-8-6-25(7-9-26)14-12-16-15(23-13-14)4-5-28(16)34(30,31)18-17(22)24-19-27(18)10-11-33-19/h4-5,10-13H,6-9H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of c-Met phosphorylation in human A549 cells after 1 hr


Bioorg Med Chem Lett 19: 2780-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.110
BindingDB Entry DOI: 10.7270/Q2BV7GN9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50262462
PNG
((S)-2-(3-(benzo[b]thiophen-3-ylmethyl)morpholino)-...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1csc2ccccc12 |r|
Show InChI InChI=1S/C22H24N2O2S2/c1-22(2)10-17-20(18(25)11-22)28-21(23-17)24-7-8-26-12-15(24)9-14-13-27-19-6-4-3-5-16(14)19/h3-6,13,15H,7-12H2,1-2H3/t15-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50083641
PNG
(Aminopyrimidine (Scaffold II) | CHEMBL113185 | N*1...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC
Show InChI InChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26)
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n/an/a 125n/an/an/an/an/an/a



Celltech Therapeutics Limited

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.


Bioorg Med Chem Lett 9: 3351-6 (2000)


BindingDB Entry DOI: 10.7270/Q29Z943G
More data for this
Ligand-Target Pair
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