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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'barlind' and Initial = 'l'   
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))
BDBM50023342
PNG
(CHEMBL3334567)
Show SMILES C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
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>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50023342
PNG
(CHEMBL3334567)
Show SMILES C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549946
PNG
(CHEMBL4796908)
Show SMILES Fc1ccccc1Cc1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549945
PNG
(CHEMBL4784342)
Show SMILES C(c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1)c1ccccc1
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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549947
PNG
(CHEMBL4749560)
Show SMILES Fc1cccc(Cc2c[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)c1
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TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50609348
PNG
(CHEMBL5272595)
Show SMILES CN([C@@H]1CCCc2c(ccc(C)c12)-c1ccc2c(C)n[nH]c2c1)C(=O)c1ncccc1C(F)F |r|
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n/an/a 90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549948
PNG
(CHEMBL4792886)
Show SMILES Fc1ccc(Cc2c[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)cc1
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TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 214n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
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 214n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 214n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-MET D1228V mutant phosphorylation at Tyr1234/Tyr1235 residues in CRISPR/Cas9 modified human NCI-H1993 cells incubated for 4 hrs by HT...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
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 214n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-MET D1228V mutant phosphorylation at Tyr1234/Tyr1235 residues in CRISPR/Cas9 modified human NCI-H1993 cells incubated for 4 hrs by HT...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549944
PNG
(CHEMBL4747073)
Show SMILES O=C1NCc2c(c[nH]c12)-c1cnc2[nH]cc(Cc3ccccc3)c2c1
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TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50023342
PNG
(CHEMBL3334567)
Show SMILES C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1
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n/an/a 676n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50609348
PNG
(CHEMBL5272595)
Show SMILES CN([C@@H]1CCCc2c(ccc(C)c12)-c1ccc2c(C)n[nH]c2c1)C(=O)c1ncccc1C(F)F |r|
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n/an/a 900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549946
PNG
(CHEMBL4796908)
Show SMILES Fc1ccccc1Cc1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
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n/an/a 1.88E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549942
PNG
(CHEMBL4748121)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1c[nH]c2C(=O)NCc12
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549947
PNG
(CHEMBL4749560)
Show SMILES Fc1cccc(Cc2c[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)c1
PDB
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n/an/a 3.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549948
PNG
(CHEMBL4792886)
Show SMILES Fc1ccc(Cc2c[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)cc1
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n/an/a 4.71E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50609349
PNG
(CHEMBL5283603)
Show SMILES CN([C@H]1CCCc2c(ccc(C)c12)-c1ccc2c(C)n[nH]c2c1)C(=O)c1ncccc1C(F)F |r|
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n/an/a 4.94E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549945
PNG
(CHEMBL4784342)
Show SMILES C(c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1)c1ccccc1
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n/an/a 5.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549943
PNG
(CHEMBL4743552)
Show SMILES Fc1cc(-c2c[nH]c3C(=O)NCc23)c2cn[nH]c2c1
PDB
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n/an/a 9.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50609349
PNG
(CHEMBL5283603)
Show SMILES CN([C@H]1CCCc2c(ccc(C)c12)-c1ccc2c(C)n[nH]c2c1)C(=O)c1ncccc1C(F)F |r|
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50609348
PNG
(CHEMBL5272595)
Show SMILES CN([C@@H]1CCCc2c(ccc(C)c12)-c1ccc2c(C)n[nH]c2c1)C(=O)c1ncccc1C(F)F |r|
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549944
PNG
(CHEMBL4747073)
Show SMILES O=C1NCc2c(c[nH]c12)-c1cnc2[nH]cc(Cc3ccccc3)c2c1
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n/an/a 2.19E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549941
PNG
(CHEMBL4744343)
Show SMILES C(c1c[nH]c2ncccc12)c1ccccc1
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n/an/a 2.42E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50609348
PNG
(CHEMBL5272595)
Show SMILES CN([C@@H]1CCCc2c(ccc(C)c12)-c1ccc2c(C)n[nH]c2c1)C(=O)c1ncccc1C(F)F |r|
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50023342
PNG
(CHEMBL3334567)
Show SMILES C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1
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n/an/a<3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-MET D1228V mutant phosphorylation at Tyr1234/Tyr1235 residues in CRISPR/Cas9 modified human NCI-H1993 cells incubated for 4 hrs by HT...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50550043
PNG
(CHEMBL4795273)
Show SMILES COc1ccc(NC(=O)[C@H]2SCCNC2=O)cc1 |r|
PDB
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n/an/a>4.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50550043
PNG
(CHEMBL4795273)
Show SMILES COc1ccc(NC(=O)[C@H]2SCCNC2=O)cc1 |r|
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of INSR (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50550043
PNG
(CHEMBL4795273)
Show SMILES COc1ccc(NC(=O)[C@H]2SCCNC2=O)cc1 |r|
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Cytochrome c oxidase subunit 2


(Homo sapiens (Human))
BDBM50550043
PNG
(CHEMBL4795273)
Show SMILES COc1ccc(NC(=O)[C@H]2SCCNC2=O)cc1 |r|
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550048
PNG
(CHEMBL1951645)
Show SMILES CC(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
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n/an/an/a 1.38E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550049
PNG
(CHEMBL4754482)
Show SMILES COc1ccc(cc1)-c1cccc(=O)[nH]1
PDB
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n/an/an/a 5.72E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550050
PNG
(CHEMBL4740336)
Show SMILES Ic1ccc(cc1)-c1cn2c(cc[nH]c2=O)n1
PDB
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n/an/an/a 2.80E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550051
PNG
(CHEMBL1464768)
Show SMILES Clc1ccc(NC(=O)CC2SCCNC2=O)cc1Cl
PDB
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n/an/an/a 6.50E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550052
PNG
(CHEMBL4753431)
Show SMILES O=C(CC1SCCNC1=O)Nc1ccccc1
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n/an/an/a 1.90E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550053
PNG
(CHEMBL4779731)
Show SMILES COc1ccccc1NC(=O)CC1SCCNC1=O
PDB
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n/an/an/a 1.60E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550054
PNG
(CHEMBL4751171)
Show SMILES COc1cccc(NC(=O)CC2SCCNC2=O)c1
PDB
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n/an/an/a 4.88E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550055
PNG
(CHEMBL4790340)
Show SMILES COc1ccc(NC(=O)CC2SCCNC2=O)cc1
PDB
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n/an/an/a 1.90E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550056
PNG
(CHEMBL4753541)
Show SMILES COc1ccc(NC(=O)CC2SCCNC2=O)cc1F
PDB
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n/an/an/a 3.40E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550057
PNG
(CHEMBL4753078)
Show SMILES CCOc1ccc(NC(=O)CC2SCCNC2=O)cc1
PDB
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n/an/an/a 1.80E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550058
PNG
(CHEMBL4743364)
Show SMILES FC(F)Oc1ccc(NC(=O)CC2SCCNC2=O)cc1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550059
PNG
(CHEMBL4762833)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)CC2SCCNC2=O)cc1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50550060
PNG
(CHEMBL4756172)
Show SMILES Oc1ccc(NC(=O)CC2SCCNC2=O)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.40E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00563
BindingDB Entry DOI: 10.7270/Q2PZ5DF5
More data for this
Ligand-Target Pair
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