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PubMed code 24012712

Compile data set for download or QSAR
Found 10 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))		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



Key Laboratory of Structure-Based Drug Design and Discovery (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 spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50441413
PNG
(CHEMBL2435999)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(ccn4)-c4ccc(C)cc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C37H38FN5O4/c1-25-5-7-26(8-6-25)27-11-13-40-32(21-27)37(44)41-28-9-10-34(30(38)22-28)47-33-12-14-39-31-24-36(35(45-3)23-29(31)33)46-20-4-15-43-18-16-42(2)17-19-43/h5-14,21-24H,4,15-20H2,1-3H3,(H,41,44)
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n/an/a 1.10n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) (4:1) as substrate after 30 mins by spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50441413
PNG
(CHEMBL2435999)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(ccn4)-c4ccc(C)cc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C37H38FN5O4/c1-25-5-7-26(8-6-25)27-11-13-40-32(21-27)37(44)41-28-9-10-34(30(38)22-28)47-33-12-14-39-31-24-36(35(45-3)23-29(31)33)46-20-4-15-43-18-16-42(2)17-19-43/h5-14,21-24H,4,15-20H2,1-3H3,(H,41,44)
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n/an/a 1.40n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (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 spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50441413
PNG
(CHEMBL2435999)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(ccn4)-c4ccc(C)cc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C37H38FN5O4/c1-25-5-7-26(8-6-25)27-11-13-40-32(21-27)37(44)41-28-9-10-34(30(38)22-28)47-33-12-14-39-31-24-36(35(45-3)23-29(31)33)46-20-4-15-43-18-16-42(2)17-19-43/h5-14,21-24H,4,15-20H2,1-3H3,(H,41,44)
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n/an/a 1.40n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) (4:1) as substrate after 30 mins by spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50441419
PNG
(CHEMBL2435998)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(ccn4)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H36FN5O4/c1-41-16-18-42(19-17-41)15-6-20-45-35-24-30-28(23-34(35)44-2)32(12-14-38-30)46-33-10-9-27(22-29(33)37)40-36(43)31-21-26(11-13-39-31)25-7-4-3-5-8-25/h3-5,7-14,21-24H,6,15-20H2,1-2H3,(H,40,43)
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n/an/a 4.5n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (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 spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50441416
PNG
(CHEMBL2435975)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nccc(n4)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H32FN5O5/c1-42-31-21-25-28(22-32(31)44-17-5-14-40-15-18-43-19-16-40)36-13-11-29(25)45-30-9-8-24(20-26(30)35)38-34(41)33-37-12-10-27(39-33)23-6-3-2-4-7-23/h2-4,6-13,20-22H,5,14-19H2,1H3,(H,38,41)
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n/an/a 6.20n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (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 spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50441415
PNG
(CHEMBL2435961)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nccc(n4)-c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C35H34F2N6O4/c1-42-15-17-43(18-16-42)14-3-19-46-33-22-29-26(21-32(33)45-2)30(11-13-38-29)47-31-9-8-25(20-27(31)37)40-35(44)34-39-12-10-28(41-34)23-4-6-24(36)7-5-23/h4-13,20-22H,3,14-19H2,1-2H3,(H,40,44)
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n/an/a 8n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (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 spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50441417
PNG
(CHEMBL2435969)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(ccn4)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C36H35FN4O4/c1-43-34-23-28-30(24-35(34)44-20-8-19-41-17-6-3-7-18-41)38-16-14-32(28)45-33-12-11-27(22-29(33)37)40-36(42)31-21-26(13-15-39-31)25-9-4-2-5-10-25/h2,4-5,9-16,21-24H,3,6-8,17-20H2,1H3,(H,40,42)
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n/an/a 9.40n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (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 spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50441418
PNG
(CHEMBL2435993)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(ccn4)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C35H33FN4O4/c1-42-33-22-27-29(23-34(33)43-19-7-18-40-16-5-6-17-40)37-15-13-31(27)44-32-11-10-26(21-28(32)36)39-35(41)30-20-25(12-14-38-30)24-8-3-2-4-9-24/h2-4,8-15,20-23H,5-7,16-19H2,1H3,(H,39,41)
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n/an/a 13n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (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 spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50441414
PNG
(CHEMBL2435965)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nccc(n4)-c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C34H31F2N5O4/c1-43-31-20-25-28(21-32(31)44-18-4-17-41-15-2-3-16-41)37-14-12-29(25)45-30-10-9-24(19-26(30)36)39-34(42)33-38-13-11-27(40-33)22-5-7-23(35)8-6-22/h5-14,19-21H,2-4,15-18H2,1H3,(H,39,42)
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n/an/a 16n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (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 spectrophotometric analysis

Eur J Med Chem 69: 77-89 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.019
BindingDB Entry DOI: 10.7270/Q2BR8TKW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%