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15 molecules are shown

Wt: 489.4
BDBM50341617
Wt: 445.4
BDBM50341627
Wt: 473.4
BDBM50341628
Wt: 459.4
BDBM50341629
Wt: 531.5
BDBM50341630
Wt: 431.4
BDBM50341631
Wt: 432.4
BDBM50341634
Wt: 418.4
BDBM50341635
Wt: 377.4
BDBM50341640
Wt: 401.4
BDBM50341641
Wt: 430.4
BDBM50341642
Wt: 432.3
BDBM50341643
Wt: 509.5
BDBM50341647
Wt: 517.5
BDBM50341648
Wt: 489.4
BDBM50341649

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50341617,50341627,50341628,50341629,50341630,50341631,50341634,50341635,50341640,50341641,50341642,50341643,50341647,50341648,50341649   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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))
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))
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))
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))
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
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))
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
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
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
Mast/stem cell growth factor receptor 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
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(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
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
Receptor tyrosine-protein kinase erbB-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 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
Proto-oncogene 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
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
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
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
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
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
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))
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))
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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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))
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))
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))
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