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PubMed code 21405128

Compile data set for download or QSAR
Found 47 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))
BDBM50341643
PNG
(3-morpholino-N-(3-nitrobenzy l)-7-(trifluoromethyl...)
Show SMILES [O-][N+](=O)c1cccc(CNc2cc(cc3ncc(cc23)N2CCOCC2)C(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)15-9-19(25-12-14-2-1-3-16(8-14)28(29)30)18-11-17(13-26-20(18)10-15)27-4-6-31-7-5-27/h1-3,8-11,13,25H,4-7,12H2
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PubMed
n/an/a 0.720n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341648
PNG
(CHEMBL1766544 | Ethyl 2-(4-(5-(3-nitrobenzylamino)...)
Show SMILES CCOC(=O)CN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O4/c1-2-37-24(34)16-31-6-8-32(9-7-31)20-13-21-22(11-18(25(26,27)28)12-23(21)30-15-20)29-14-17-4-3-5-19(10-17)33(35)36/h3-5,10-13,15,29H,2,6-9,14,16H2,1H3
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n/an/a 0.770n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341647
PNG
(3-(4-(Methylsulfonyl)piperazin-1-yl)-N-(3-nitroben...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O4S/c1-35(33,34)29-7-5-28(6-8-29)18-12-19-20(10-16(22(23,24)25)11-21(19)27-14-18)26-13-15-3-2-4-17(9-15)30(31)32/h2-4,9-12,14,26H,5-8,13H2,1H3
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n/an/a 0.820n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341646
PNG
(3-(4-(Cyclopropylsulfonyl)piperazin-1-yl)-N-(3-nit...)
Show SMILES [O-][N+](=O)c1cccc(CNc2cc(cc3ncc(cc23)N2CCN(CC2)S(=O)(=O)C2CC2)C(F)(F)F)c1
Show InChI InChI=1S/C24H24F3N5O4S/c25-24(26,27)17-11-22(28-14-16-2-1-3-18(10-16)32(33)34)21-13-19(15-29-23(21)12-17)30-6-8-31(9-7-30)37(35,36)20-4-5-20/h1-3,10-13,15,20,28H,4-9,14H2
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n/an/a 0.840n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341627
PNG
(3-(4-Methylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2/c1-28-5-7-29(8-6-28)18-12-19-20(10-16(22(23,24)25)11-21(19)27-14-18)26-13-15-3-2-4-17(9-15)30(31)32/h2-4,9-12,14,26H,5-8,13H2,1H3
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n/an/a 0.930n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a 0.950n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341629
PNG
(3-(4-Ethylpiperazin-1-yl)-5-(3-nitrobenzylamino)-7...)
Show SMILES CCN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O2/c1-2-29-6-8-30(9-7-29)19-13-20-21(11-17(23(24,25)26)12-22(20)28-15-19)27-14-16-4-3-5-18(10-16)31(32)33/h3-5,10-13,15,27H,2,6-9,14H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341631
PNG
(CHEMBL1766532 | N-(3-Nitrobenzyl)-3-(piperazin-1-y...)
Show SMILES [O-][N+](=O)c1cccc(CNc2cc(cc3ncc(cc23)N2CCNCC2)C(F)(F)F)c1
Show InChI InChI=1S/C21H20F3N5O2/c22-21(23,24)15-9-19(26-12-14-2-1-3-16(8-14)29(30)31)18-11-17(13-27-20(18)10-15)28-6-4-25-5-7-28/h1-3,8-11,13,25-26H,4-7,12H2
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n/an/a 2.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341645
PNG
(3-(4-Methylpiperazin-1-yl)-5-(3-nitrobenzyloxy)-7-...)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(OCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3/c1-27-5-7-28(8-6-27)18-12-19-20(26-13-18)10-16(22(23,24)25)11-21(19)32-14-15-3-2-4-17(9-15)29(30)31/h2-4,9-13H,5-8,14H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341642
PNG
(3-(piperidin-1-yl)-N-(3-nitrobenzyl)-7-(trifluorom...)
Show SMILES [O-][N+](=O)c1cccc(CNc2cc(cc3ncc(cc23)N2CCCCC2)C(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N4O2/c23-22(24,25)16-10-20(26-13-15-5-4-6-17(9-15)29(30)31)19-12-18(14-27-21(19)11-16)28-7-2-1-3-8-28/h4-6,9-12,14,26H,1-3,7-8,13H2
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n/an/a 3.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341617
PNG
(2-(4-(5-(3-Nitrobenzylamino)-7-(trifluoromethyl)qu...)
Show SMILES OC(=O)CN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O4/c24-23(25,26)16-9-20(27-12-15-2-1-3-17(8-15)31(34)35)19-11-18(13-28-21(19)10-16)30-6-4-29(5-7-30)14-22(32)33/h1-3,8-11,13,27H,4-7,12,14H2,(H,32,33)
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n/an/a 4.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341632
PNG
(3-(4-ethylpiperazin-1-yl)-N-(3-cyanobenzyl)-7-(tri...)
Show SMILES CCN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)C#N)c2c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N5/c1-2-31-6-8-32(9-7-31)20-13-21-22(29-15-18-5-3-4-17(10-18)14-28)11-19(24(25,26)27)12-23(21)30-16-20/h3-5,10-13,16,29H,2,6-9,15H2,1H3
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n/an/a 5.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341630
PNG
(CHEMBL1766531 | tert-Butyl4-(5-(3-Nitrobenzylamino...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(35)33-9-7-32(8-10-33)20-14-21-22(12-18(26(27,28)29)13-23(21)31-16-20)30-15-17-5-4-6-19(11-17)34(36)37/h4-6,11-14,16,30H,7-10,15H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341636
PNG
((3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-MET...)
Show SMILES CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1
Show InChI InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
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n/an/a 14n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341649
PNG
(CHEMBL1766545 | Methyl 4-(5-(3-nitrobenzylamino)-7...)
Show SMILES COC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O4/c1-35-22(32)30-7-5-29(6-8-30)18-12-19-20(10-16(23(24,25)26)11-21(19)28-14-18)27-13-15-3-2-4-17(9-15)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a 43n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341644
PNG
(CHEMBL1766540 | N-(3-(4-Methylpiperazin-1-yl)-7-(t...)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O4S/c1-27-5-7-28(8-6-27)16-12-18-19(25-13-16)9-14(21(22,23)24)10-20(18)26-34(32,33)17-4-2-3-15(11-17)29(30)31/h2-4,9-13,26H,5-8H2,1H3
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n/an/a 99n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341618
PNG
(3-(4-Acetylpiperazin-1-yl)-N-(3-nitrobenzyl)quinol...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cccc(NCc3cccc(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C22H23N5O3/c1-16(28)25-8-10-26(11-9-25)19-13-20-21(6-3-7-22(20)24-15-19)23-14-17-4-2-5-18(12-17)27(29)30/h2-7,12-13,15,23H,8-11,14H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341637
PNG
(5-(3-Nitrobenzyloxy)-3-(4-methylpiperazin-1-yl)qui...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(OCc3cccc(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C21H22N4O3/c1-23-8-10-24(11-9-23)18-13-19-20(22-14-18)6-3-7-21(19)28-15-16-4-2-5-17(12-16)25(26)27/h2-7,12-14H,8-11,15H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341641
PNG
(3-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)-...)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(NCc3cccnc3)c2c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5/c1-28-5-7-29(8-6-28)17-11-18-19(26-13-15-3-2-4-25-12-15)9-16(21(22,23)24)10-20(18)27-14-17/h2-4,9-12,14,26H,5-8,13H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341640
PNG
(3-(4-Methylpiperazin-1-yl)-N-(3-nitrobenzyl)quinol...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(NCc3cccc(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C21H23N5O2/c1-24-8-10-25(11-9-24)18-13-19-20(6-3-7-21(19)23-15-18)22-14-16-4-2-5-17(12-16)26(27)28/h2-7,12-13,15,22H,8-11,14H2,1H3
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n/an/a 166n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341633
PNG
(3-(4-ethylpiperazin-1-yl)-N-(3-hydroxybenzyl)-7-(t...)
Show SMILES CCN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(O)c3)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N4O/c1-2-29-6-8-30(9-7-29)18-13-20-21(27-14-16-4-3-5-19(31)10-16)11-17(23(24,25)26)12-22(20)28-15-18/h3-5,10-13,15,27,31H,2,6-9,14H2,1H3
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n/an/a 230n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341635
PNG
(3-(4-methylpiperazin-1-yl)-N-(3-fluorobenzyl)-7-(t...)
Show SMILES CN1CCN(CC1)c1cnc2cc(cc(NCc3cccc(F)c3)c2c1)C(F)(F)F
Show InChI InChI=1S/C22H22F4N4/c1-29-5-7-30(8-6-29)18-12-19-20(27-13-15-3-2-4-17(23)9-15)10-16(22(24,25)26)11-21(19)28-14-18/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341639
PNG
(3-(4-Methylpiperazin-1-yl)quinolin-5-yl 3-Nitroben...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(OS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C20H20N4O5S/c1-22-8-10-23(11-9-22)16-13-18-19(21-14-16)6-3-7-20(18)29-30(27,28)17-5-2-4-15(12-17)24(25)26/h2-7,12-14H,8-11H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341626
PNG
(3-(4-Methylpiperazin-1-yl)-5-(3-nitrophenyl)quinol...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(-c3cccc(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C20H20N4O2/c1-22-8-10-23(11-9-22)17-13-19-18(6-3-7-20(19)21-14-17)15-4-2-5-16(12-15)24(25)26/h2-7,12-14H,8-11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341621
PNG
(CHEMBL1766519 | N-(3-(4-acetylpiperazin-1-yl)quino...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C21H21N5O5S/c1-15(27)24-8-10-25(11-9-24)17-13-19-20(22-14-17)6-3-7-21(19)23-32(30,31)18-5-2-4-16(12-18)26(28)29/h2-7,12-14,23H,8-11H2,1H3
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n/an/a 2.56E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341619
PNG
(CHEMBL1766515 | N-(3-(4-Methylpiperazin-1-yl)quino...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C20H21N5O4S/c1-23-8-10-24(11-9-23)16-13-18-19(21-14-16)6-3-7-20(18)22-30(28,29)17-5-2-4-15(12-17)25(26)27/h2-7,12-14,22H,8-11H2,1H3
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n/an/a 3.44E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341620
PNG
(1-(4-fluorophenyl)-N-(3-(4-methylpiperazin-1-yl)qu...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)c2c1
Show InChI InChI=1S/C26H24FN5O2/c1-30-12-14-31(15-13-30)20-16-22-23(28-17-20)5-2-6-24(22)29-25(33)21-4-3-11-32(26(21)34)19-9-7-18(27)8-10-19/h2-11,16-17H,12-15H2,1H3,(H,29,33)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341623
PNG
(3-(4-Methylpiperazin-1-yl)-5-(naphthalen-2-yl)quin...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(-c3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C24H23N3/c1-26-11-13-27(14-12-26)21-16-23-22(7-4-8-24(23)25-17-21)20-10-9-18-5-2-3-6-19(18)15-20/h2-10,15-17H,11-14H2,1H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341634
PNG
(3-(4-ethylpiperazin-1-yl)-N-(4-fluorobenzyl)-7-(tr...)
Show SMILES CCN1CCN(CC1)c1cnc2cc(cc(NCc3ccc(F)cc3)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N4/c1-2-30-7-9-31(10-8-30)19-13-20-21(28-14-16-3-5-18(24)6-4-16)11-17(23(25,26)27)12-22(20)29-15-19/h3-6,11-13,15,28H,2,7-10,14H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EPH-A2


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Abl


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Kit


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of RON


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Src


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EPH-B2


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50341628
PNG
(3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Flt-1


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341638
PNG
(5-(3-Cyanobenzyloxy)-3-(4-methylpiperazin-1-yl)qui...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(OCc3cccc(c3)C#N)c2c1
Show InChI InChI=1S/C22H22N4O/c1-25-8-10-26(11-9-25)19-13-20-21(24-15-19)6-3-7-22(20)27-16-18-5-2-4-17(12-18)14-23/h2-7,12-13,15H,8-11,16H2,1H3
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n/an/a 1.23E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341624
PNG
(5-(Furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(-c3ccco3)c2c1
Show InChI InChI=1S/C18H19N3O/c1-20-7-9-21(10-8-20)14-12-16-15(18-6-3-11-22-18)4-2-5-17(16)19-13-14/h2-6,11-13H,7-10H2,1H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341625
PNG
(3-(4-Methylpiperazin-1-yl)-5-(thiophen-2-yl)quinol...)
Show SMILES CN1CCN(CC1)c1cnc2cccc(-c3cccs3)c2c1
Show InChI InChI=1S/C18H19N3S/c1-20-7-9-21(10-8-20)14-12-16-15(18-6-3-11-22-18)4-2-5-17(16)19-13-14/h2-6,11-13H,7-10H2,1H3
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n/an/a 1.43E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341622
PNG
(1-(3-(4-acetylpiperazin-1-yl)quinolin-5-yl)-3-(3-n...)
Show SMILES CC(=O)N1CCN(CC1)c1cnc2cccc(NC(=O)Nc3cccc(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C22H22N6O4/c1-15(29)26-8-10-27(11-9-26)18-13-19-20(23-14-18)6-3-7-21(19)25-22(30)24-16-4-2-5-17(12-16)28(31)32/h2-7,12-14H,8-11H2,1H3,(H2,24,25,30)
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n/an/a 2.24E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-Met after 60 mins by ELISA


J Med Chem 54: 2127-42 (2011)


Article DOI: 10.1021/jm101340q
BindingDB Entry DOI: 10.7270/Q2DR2VTS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%