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PubMed code 18690676

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24457
PNG
(2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}p...)
Show SMILES [O-][n+]1c(cccc1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C25H17FN4O3/c26-19-15-17(9-10-23(19)33-22-12-14-28-24-18(22)11-13-27-24)29-25(31)21-8-4-7-20(30(21)32)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,29,31)
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n/an/a 1.30n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24458
PNG
(2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}p...)
Show SMILES [O-][n+]1c(cccc1-c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C25H16F2N4O3/c26-16-6-4-15(5-7-16)20-2-1-3-21(31(20)33)25(32)30-17-8-9-23(19(27)14-17)34-22-11-13-29-24-18(22)10-12-28-24/h1-14H,(H,28,29)(H,30,32)
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n/an/a 1.80n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24440
PNG
(2-pyridone analogue, 2 | JMC521251 Compound 1 | N-...)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
Show InChI InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)
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Article
PubMed
n/an/a 1.80n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24441
PNG
(2-pyridone analogue, 13 | N-(3-fluoro-4-{1H-pyrrol...)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccccc3)c2=O)ccc1Oc1ccnc2[nH]ccc12
Show InChI InChI=1S/C25H17FN4O3/c26-20-15-16(8-9-22(20)33-21-11-13-28-23-18(21)10-12-27-23)29-24(31)19-7-4-14-30(25(19)32)17-5-2-1-3-6-17/h1-15H,(H,27,28)(H,29,31)
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n/an/a 1.90n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24454
PNG
(1-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-{1H-pyr...)
Show SMILES COc1ccc(cc1F)-n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H21F3N4O4/c1-42-28-9-7-21(15-26(28)35)39-16-23(18-2-4-19(33)5-3-18)30(40)24(17-39)32(41)38-20-6-8-29(25(34)14-20)43-27-11-13-37-31-22(27)10-12-36-31/h2-17H,1H3,(H,36,37)(H,38,41)
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n/an/a 2.30n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24449
PNG
(4-pyridone analogue, 3 | N-(3-fluoro-4-{1H-pyrrolo...)
Show SMILES Oc1c(cncc1-c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C25H16F2N4O3/c26-15-3-1-14(2-4-15)18-12-28-13-19(23(18)32)25(33)31-16-5-6-22(20(27)11-16)34-21-8-10-30-24-17(21)7-9-29-24/h1-13H,(H,28,32)(H,29,30)(H,31,33)
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n/an/a 2.80n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24450
PNG
(4-pyridone analogue, 34 | N-(3-fluoro-4-{1H-pyrrol...)
Show SMILES Cn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H18F2N4O3/c1-32-13-19(15-2-4-16(27)5-3-15)24(33)20(14-32)26(34)31-17-6-7-23(21(28)12-17)35-22-9-11-30-25-18(22)8-10-29-25/h2-14H,1H3,(H,29,30)(H,31,34)
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n/an/a 3.10n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24452
PNG
(1-cyclopropyl-N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyri...)
Show SMILES Fc1ccc(cc1)-c1cn(cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O)C1CC1
Show InChI InChI=1S/C28H20F2N4O3/c29-17-3-1-16(2-4-17)21-14-34(19-6-7-19)15-22(26(21)35)28(36)33-18-5-8-25(23(30)13-18)37-24-10-12-32-27-20(24)9-11-31-27/h1-5,8-15,19H,6-7H2,(H,31,32)(H,33,36)
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n/an/a 3.40n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24451
PNG
(4-pyridone analogue, 37 | N-(3-fluoro-4-{1H-pyrrol...)
Show SMILES OCCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H20F2N4O4/c28-17-3-1-16(2-4-17)20-14-33(11-12-34)15-21(25(20)35)27(36)32-18-5-6-24(22(29)13-18)37-23-8-10-31-26-19(23)7-9-30-26/h1-10,13-15,34H,11-12H2,(H,30,31)(H,32,36)
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n/an/a 3.80n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24453
PNG
(1-(4-chloro-3-fluorophenyl)-N-(3-fluoro-4-{1H-pyrr...)
Show SMILES Fc1ccc(cc1)-c1cn(cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C31H18ClF3N4O3/c32-24-7-6-20(14-25(24)34)39-15-22(17-1-3-18(33)4-2-17)29(40)23(16-39)31(41)38-19-5-8-28(26(35)13-19)42-27-10-12-37-30-21(27)9-11-36-30/h1-16H,(H,36,37)(H,38,41)
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n/an/a 5n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24445
PNG
(2-pyridone analogue, 17 | N-(3-fluoro-4-{1H-pyrrol...)
Show SMILES Fc1ccc(Cn2cccc(C(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)c(F)c3)c2=O)cc1
Show InChI InChI=1S/C26H18F2N4O3/c27-17-5-3-16(4-6-17)15-32-13-1-2-20(26(32)34)25(33)31-18-7-8-23(21(28)14-18)35-22-10-12-30-24-19(22)9-11-29-24/h1-14H,15H2,(H,29,30)(H,31,33)
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n/an/a 8.20n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24446
PNG
(2-pyridone analogue, 18 | N-(3-fluoro-4-{1H-pyrrol...)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccccn3)c2=O)ccc1Oc1ccnc2[nH]ccc12
Show InChI InChI=1S/C24H16FN5O3/c25-18-14-15(6-7-20(18)33-19-9-12-28-22-16(19)8-11-27-22)29-23(31)17-4-3-13-30(24(17)32)21-5-1-2-10-26-21/h1-14H,(H,27,28)(H,29,31)
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n/an/a 10n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24444
PNG
(2-pyridone analogue, 16 | N-(3-fluoro-4-{1H-pyrrol...)
Show SMILES CC(C)CCn1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
Show InChI InChI=1S/C24H23FN4O3/c1-15(2)9-13-29-12-3-4-18(24(29)31)23(30)28-16-5-6-21(19(25)14-16)32-20-8-11-27-22-17(20)7-10-26-22/h3-8,10-12,14-15H,9,13H2,1-2H3,(H,26,27)(H,28,30)
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n/an/a 30n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24447
PNG
(2-pyridone analogue, 19 | N-(3-fluoro-4-{1H-pyrrol...)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3cccnc3)c2=O)ccc1Oc1ccnc2[nH]ccc12
Show InChI InChI=1S/C24H16FN5O3/c25-19-13-15(5-6-21(19)33-20-8-11-28-22-17(20)7-10-27-22)29-23(31)18-4-2-12-30(24(18)32)16-3-1-9-26-14-16/h1-14H,(H,27,28)(H,29,31)
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n/an/a 70n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24456
PNG
(N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}ph...)
Show SMILES Fc1cc(NC(=O)c2cccc(n2)-c2ccccc2)ccc1Oc1ccnc2[nH]ccc12
Show InChI InChI=1S/C25H17FN4O2/c26-19-15-17(9-10-23(19)32-22-12-14-28-24-18(22)11-13-27-24)29-25(31)21-8-4-7-20(30-21)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,29,31)
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n/an/a 470n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24443
PNG
(1-cyclopropyl-N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyri...)
Show SMILES Fc1cc(NC(=O)c2cccn(C3CC3)c2=O)ccc1Oc1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H17FN4O3/c23-17-12-13(26-21(28)16-2-1-11-27(22(16)29)14-4-5-14)3-6-19(17)30-18-8-10-25-20-15(18)7-9-24-20/h1-3,6-12,14H,4-5H2,(H,24,25)(H,26,28)
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n/an/a 1.00E+3n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24442
PNG
(1-tert-butyl-N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyrid...)
Show SMILES CC(C)(C)n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
Show InChI InChI=1S/C23H21FN4O3/c1-23(2,3)28-12-4-5-16(22(28)30)21(29)27-14-6-7-19(17(24)13-14)31-18-9-11-26-20-15(18)8-10-25-20/h4-13H,1-3H3,(H,25,26)(H,27,29)
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n/an/a 1.00E+3n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24448
PNG
(1-(4-carbamoylphenyl)-N-(3-fluoro-4-{1H-pyrrolo[2,...)
Show SMILES NC(=O)c1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
Show InChI InChI=1S/C26H18FN5O4/c27-20-14-16(5-8-22(20)36-21-10-12-30-24-18(21)9-11-29-24)31-25(34)19-2-1-13-32(26(19)35)17-6-3-15(4-7-17)23(28)33/h1-14H,(H2,28,33)(H,29,30)(H,31,34)
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24455
PNG
(N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}ph...)
Show SMILES Fc1ccc(cc1)-c1cocc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
Show InChI InChI=1S/C25H15F2N3O4/c26-15-3-1-14(2-4-15)18-12-33-13-19(23(18)31)25(32)30-16-5-6-22(20(27)11-16)34-21-8-10-29-24-17(21)7-9-28-24/h1-13H,(H,28,29)(H,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%