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PubMed code 27155466

Compile data set for download or QSAR
Found 12 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 1.80n/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 incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50185415
PNG
(CHEMBL3823520)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C33H32ClFN6O4/c1-43-31-19-23-26(20-32(31)44-17-7-16-40-14-5-2-6-15-40)36-13-12-29(23)45-30-11-10-22(18-25(30)35)37-33(42)27-21-41(39-38-27)28-9-4-3-8-24(28)34/h3-4,8-13,18-21H,2,5-7,14-17H2,1H3,(H,37,42)
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n/an/a 2.30n/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 incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50185416
PNG
(CHEMBL3823902)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C34H34ClFN6O4/c1-22-11-15-41(16-12-22)14-5-17-45-33-20-27-24(19-32(33)44-2)30(10-13-37-27)46-31-9-8-23(18-26(31)36)38-34(43)28-21-42(40-39-28)29-7-4-3-6-25(29)35/h3-4,6-10,13,18-22H,5,11-12,14-17H2,1-2H3,(H,38,43)
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n/an/a 3.10n/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 incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50185386
PNG
(CHEMBL3824101)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C32H30ClFN6O4/c1-42-30-18-22-25(19-31(30)43-16-6-15-39-13-4-5-14-39)35-12-11-28(22)44-29-10-9-21(17-24(29)34)36-32(41)26-20-40(38-37-26)27-8-3-2-7-23(27)33/h2-3,7-12,17-20H,4-6,13-16H2,1H3,(H,36,41)
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n/an/a 6.70n/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 incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50185387
PNG
(CHEMBL3823944)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C33H33FN6O4/c1-42-31-20-25-27(21-32(31)43-18-8-17-39-15-6-3-7-16-39)35-14-13-29(25)44-30-12-11-23(19-26(30)34)36-33(41)28-22-40(38-37-28)24-9-4-2-5-10-24/h2,4-5,9-14,19-22H,3,6-8,15-18H2,1H3,(H,36,41)
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n/an/a 8.80n/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 incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50185415
PNG
(CHEMBL3823520)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C33H32ClFN6O4/c1-43-31-19-23-26(20-32(31)44-17-7-16-40-14-5-2-6-15-40)36-13-12-29(23)45-30-11-10-22(18-25(30)35)37-33(42)27-21-41(39-38-27)28-9-4-3-8-24(28)34/h3-4,8-13,18-21H,2,5-7,14-17H2,1H3,(H,37,42)
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n/an/a 8.90n/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 incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50185415
PNG
(CHEMBL3823520)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C33H32ClFN6O4/c1-43-31-19-23-26(20-32(31)44-17-7-16-40-14-5-2-6-15-40)36-13-12-29(23)45-30-11-10-22(18-25(30)35)37-33(42)27-21-41(39-38-27)28-9-4-3-8-24(28)34/h3-4,8-13,18-21H,2,5-7,14-17H2,1H3,(H,37,42)
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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-kit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50185417
PNG
(CHEMBL3823376)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C33H34FN7O4/c1-39-14-16-40(17-15-39)13-6-18-44-32-21-27-25(20-31(32)43-2)29(11-12-35-27)45-30-10-9-23(19-26(30)34)36-33(42)28-22-41(38-37-28)24-7-4-3-5-8-24/h3-5,7-12,19-22H,6,13-18H2,1-2H3,(H,36,42)
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n/an/a 9.5n/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 incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50185418
PNG
(CHEMBL3823581)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C33H33ClFN7O4/c1-40-13-15-41(16-14-40)12-5-17-45-32-20-26-23(19-31(32)44-2)29(10-11-36-26)46-30-9-8-22(18-25(30)35)37-33(43)27-21-42(39-38-27)28-7-4-3-6-24(28)34/h3-4,6-11,18-21H,5,12-17H2,1-2H3,(H,37,43)
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n/an/a 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 incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50185415
PNG
(CHEMBL3823520)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C33H32ClFN6O4/c1-43-31-19-23-26(20-32(31)44-17-7-16-40-14-5-2-6-15-40)36-13-12-29(23)45-30-11-10-22(18-25(30)35)37-33(42)27-21-41(39-38-27)28-9-4-3-8-24(28)34/h3-4,8-13,18-21H,2,5-7,14-17H2,1H3,(H,37,42)
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n/an/a 97n/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 VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))		BDBM50185415
PNG
(CHEMBL3823520)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C33H32ClFN6O4/c1-43-31-19-23-26(20-32(31)44-17-7-16-40-14-5-2-6-15-40)36-13-12-29(23)45-30-11-10-22(18-25(30)35)37-33(42)27-21-41(39-38-27)28-9-4-3-8-24(28)34/h3-4,8-13,18-21H,2,5-7,14-17H2,1H3,(H,37,42)
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n/an/a 346n/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 Ron (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50185415
PNG
(CHEMBL3823520)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cn(nn4)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C33H32ClFN6O4/c1-43-31-19-23-26(20-32(31)44-17-7-16-40-14-5-2-6-15-40)36-13-12-29(23)45-30-11-10-22(18-25(30)35)37-33(42)27-21-41(39-38-27)28-9-4-3-8-24(28)34/h3-4,8-13,18-21H,2,5-7,14-17H2,1H3,(H,37,42)
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n/an/a 529n/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 EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay

Eur J Med Chem 119: 96-108 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.035
BindingDB Entry DOI: 10.7270/Q24J0H2G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%