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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50047811   
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))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 1.10n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190810
PNG
(CHEMBL3975648)
Show SMILES Fc1cccc(c1)N1N=C(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)S(=O)(=O)c2ccccc12 |t:9|
Show InChI InChI=1S/C30H19F2N5O4S/c31-20-6-3-7-22(15-20)37-25-8-1-2-9-28(25)42(39,40)30(36-37)29(38)35-21-10-11-27(24(32)16-21)41-26-12-14-34-18-23(26)19-5-4-13-33-17-19/h1-18H,(H,35,38)
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n/an/a 8.20n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190915
PNG
(CHEMBL3983663)
Show SMILES Fc1cc(NC(=O)C2=NN(c3ccccc3C(F)(F)F)c3ccccc3S2(=O)=O)ccc1Oc1ccncc1-c1cccnc1 |t:7|
Show InChI InChI=1S/C31H19F4N5O4S/c32-23-16-20(11-12-27(23)44-26-13-15-37-18-21(26)19-6-5-14-36-17-19)38-29(41)30-39-40(24-8-2-1-7-22(24)31(33,34)35)25-9-3-4-10-28(25)45(30,42)43/h1-18H,(H,38,41)
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n/an/a 17n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190808
PNG
(CHEMBL3903767)
Show SMILES Fc1cccc(c1)-n1nc(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)c2ccccc2c1=O
Show InChI InChI=1S/C31H19F2N5O3/c32-20-6-3-7-22(15-20)38-31(40)24-9-2-1-8-23(24)29(37-38)30(39)36-21-10-11-28(26(33)16-21)41-27-12-14-35-18-25(27)19-5-4-13-34-17-19/h1-18H,(H,36,39)
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n/an/a 19n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190914
PNG
(CHEMBL3959949)
Show SMILES Fc1cc(Nc2cc(Nc3cccc(Cl)c3)ncn2)ccc1Oc1ccncc1-c1cccnc1
Show InChI InChI=1S/C26H18ClFN6O/c27-18-4-1-5-19(11-18)33-25-13-26(32-16-31-25)34-20-6-7-24(22(28)12-20)35-23-8-10-30-15-21(23)17-3-2-9-29-14-17/h1-16H,(H2,31,32,33,34)
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n/an/a 24n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190912
PNG
(CHEMBL3945597)
Show SMILES Fc1ccc(Nc2cc(Nc3ccc(Oc4ccncc4-c4cccnc4)c(F)c3)ncn2)cc1F
Show InChI InChI=1S/C26H17F3N6O/c27-20-5-3-17(10-21(20)28)34-25-12-26(33-15-32-25)35-18-4-6-24(22(29)11-18)36-23-7-9-31-14-19(23)16-2-1-8-30-13-16/h1-15H,(H2,32,33,34,35)
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n/an/a 38n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50191065
PNG
(CHEMBL3894843)
Show SMILES Fc1ccc(cc1F)N1N=C(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)S(=O)(=O)c2ccccc12 |t:10|
Show InChI InChI=1S/C30H18F3N5O4S/c31-22-9-8-20(15-23(22)32)38-25-5-1-2-6-28(25)43(40,41)30(37-38)29(39)36-19-7-10-27(24(33)14-19)42-26-11-13-35-17-21(26)18-4-3-12-34-16-18/h1-17H,(H,36,39)
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n/an/a 47n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190809
PNG
(CHEMBL3942488)
Show SMILES Cn1c(=O)c(nn(-c2ccc(Cl)cc2)c1=O)C(=O)Nc1ccc(Oc2ccncc2-c2cccnc2)c(F)c1
Show InChI InChI=1S/C27H18ClFN6O4/c1-34-26(37)24(33-35(27(34)38)19-7-4-17(28)5-8-19)25(36)32-18-6-9-23(21(29)13-18)39-22-10-12-31-15-20(22)16-3-2-11-30-14-16/h2-15H,1H3,(H,32,36)
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n/an/a 48n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190916
PNG
(CHEMBL3894838)
Show SMILES Fc1ccc(cc1)-n1nc(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)c2ccccc2c1=O
Show InChI InChI=1S/C31H19F2N5O3/c32-20-7-10-22(11-8-20)38-31(40)24-6-2-1-5-23(24)29(37-38)30(39)36-21-9-12-28(26(33)16-21)41-27-13-15-35-18-25(27)19-4-3-14-34-17-19/h1-18H,(H,36,39)
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n/an/a 52n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190909
PNG
(CHEMBL3980971)
Show SMILES Fc1cc(Nc2cc(Nc3ccccc3)ncn2)ccc1Oc1ccncc1-c1cccnc1
Show InChI InChI=1S/C26H19FN6O/c27-22-13-20(33-26-14-25(30-17-31-26)32-19-6-2-1-3-7-19)8-9-24(22)34-23-10-12-29-16-21(23)18-5-4-11-28-15-18/h1-17H,(H2,30,31,32,33)
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n/an/a 53n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50191062
PNG
(CHEMBL3951223)
Show SMILES Cn1c(=O)c(nn(-c2c(Cl)cccc2Cl)c1=O)C(=O)Nc1ccc(Oc2ccncc2-c2cccnc2)c(F)c1 |(19.76,-7.12,;19.77,-8.66,;18.45,-9.44,;17.11,-8.68,;18.46,-10.98,;19.8,-11.74,;21.13,-10.96,;22.46,-11.72,;22.47,-13.26,;21.13,-14.05,;23.81,-14.02,;25.15,-13.24,;25.13,-11.7,;23.79,-10.94,;23.78,-9.39,;21.11,-9.42,;22.45,-8.64,;17.13,-11.76,;17.14,-13.3,;15.79,-11,;14.46,-11.78,;14.47,-13.32,;13.14,-14.1,;11.81,-13.34,;10.48,-14.12,;10.49,-15.66,;11.82,-16.42,;11.84,-17.96,;10.51,-18.74,;9.17,-17.98,;9.16,-16.44,;7.82,-15.68,;6.49,-16.46,;5.15,-15.69,;5.14,-14.15,;6.47,-13.38,;7.81,-14.14,;11.8,-11.8,;10.45,-11.04,;13.13,-11.02,)|
Show InChI InChI=1S/C27H17Cl2FN6O4/c1-35-26(38)23(34-36(27(35)39)24-18(28)5-2-6-19(24)29)25(37)33-16-7-8-22(20(30)12-16)40-21-9-11-32-14-17(21)15-4-3-10-31-13-15/h2-14H,1H3,(H,33,37)
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n/an/a 56n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190910
PNG
(CHEMBL3941430)
Show SMILES Cn1c(=O)c(nn(-c2ccccc2F)c1=O)C(=O)Nc1ccc(Oc2ccncc2-c2cccnc2)c(F)c1
Show InChI InChI=1S/C27H18F2N6O4/c1-34-26(37)24(33-35(27(34)38)21-7-3-2-6-19(21)28)25(36)32-17-8-9-23(20(29)13-17)39-22-10-12-31-15-18(22)16-5-4-11-30-14-16/h2-15H,1H3,(H,32,36)
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n/an/a 85n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50191070
PNG
(CHEMBL3969959)
Show SMILES COc1ccc(cc1)-n1nc(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)c2ccccc2c1=O
Show InChI InChI=1S/C32H22FN5O4/c1-41-23-11-9-22(10-12-23)38-32(40)25-7-3-2-6-24(25)30(37-38)31(39)36-21-8-13-29(27(33)17-21)42-28-14-16-35-19-26(28)20-5-4-15-34-18-20/h2-19H,1H3,(H,36,39)
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n/an/a 89n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50191066
PNG
(CHEMBL3946333)
Show SMILES Fc1cc(NC(=O)c2ccnn(-c3ccc(Cl)cc3)c2=O)ccc1Oc1ccncc1-c1cccnc1
Show InChI InChI=1S/C27H17ClFN5O3/c28-18-3-6-20(7-4-18)34-27(36)21(9-13-32-34)26(35)33-19-5-8-25(23(29)14-19)37-24-10-12-31-16-22(24)17-2-1-11-30-15-17/h1-16H,(H,33,35)
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n/an/a 90n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50190811
PNG
(CHEMBL3923500)
Show SMILES Cn1c(=O)c(nn(-c2ccc(F)c(Cl)c2)c1=O)C(=O)Nc1ccc(Oc2ccncc2-c2cccnc2)c(F)c1
Show InChI InChI=1S/C27H17ClF2N6O4/c1-35-26(38)24(34-36(27(35)39)17-5-6-20(29)19(28)12-17)25(37)33-16-4-7-23(21(30)11-16)40-22-8-10-32-14-18(22)15-3-2-9-31-13-15/h2-14H,1H3,(H,33,37)
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n/an/a 103n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50191071
PNG
(CHEMBL3899656)
Show SMILES Cn1cc(cc(C(=O)Nc2ccc(Oc3ccncc3-c3cccnc3)c(F)c2)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H20F2N4O3/c1-35-17-20(18-4-6-21(30)7-5-18)13-23(29(35)37)28(36)34-22-8-9-27(25(31)14-22)38-26-10-12-33-16-24(26)19-3-2-11-32-15-19/h2-17H,1H3,(H,34,36)
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PubMed
n/an/a 106n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 120: 37-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.062
BindingDB Entry DOI: 10.7270/Q2VM4F5Q
More data for this
Ligand-Target Pair