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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'bao' and Initial = 'g'   
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 1.20n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 1.5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
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))
BDBM50147911
PNG
(CHEMBL3764158)
Show SMILES COc1cc2c(Oc3ccc(NC(=S)N\N=C\c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C32H34FN5O3S/c1-39-30-20-25-27(21-31(30)40-18-8-17-38-15-6-3-7-16-38)34-14-13-28(25)41-29-12-11-24(19-26(29)33)36-32(42)37-35-22-23-9-4-2-5-10-23/h2,4-5,9-14,19-22H,3,6-8,15-18H2,1H3,(H2,36,37,42)/b35-22+
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n/an/a 8.90n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50147892
PNG
(CHEMBL3764241)
Show SMILES COc1ccc(\C=N\NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)cc1
Show InChI InChI=1S/C33H36FN5O5/c1-41-25-10-7-23(8-11-25)22-36-38-33(40)37-24-9-12-30(27(34)19-24)44-29-13-14-35-28-21-32(31(42-2)20-26(28)29)43-18-6-17-39-15-4-3-5-16-39/h7-14,19-22H,3-6,15-18H2,1-2H3,(H2,37,38,40)/b36-22+
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n/an/a 14n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 15n/an/an/an/an/an/a



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 homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50147899
PNG
(CHEMBL3765572)
Show SMILES COc1ccc(\C=N\NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCC(C)CC5)c(OC)cc34)c(F)c2)cc1
Show InChI InChI=1S/C34H38FN5O5/c1-23-12-16-40(17-13-23)15-4-18-44-33-21-29-27(20-32(33)43-3)30(11-14-36-29)45-31-10-7-25(19-28(31)35)38-34(41)39-37-22-24-5-8-26(42-2)9-6-24/h5-11,14,19-23H,4,12-13,15-18H2,1-3H3,(H2,38,39,41)/b37-22+
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n/an/a 16n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50147914
PNG
(CHEMBL3764060)
Show SMILES COc1cc2c(Oc3ccc(NC(=S)N\N=C\c4ccc(F)cc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C32H32ClF2N5O3S/c1-41-30-18-24-27(19-31(30)42-15-5-14-40-12-3-2-4-13-40)36-11-10-28(24)43-29-9-8-23(17-26(29)35)38-32(44)39-37-20-21-6-7-22(34)16-25(21)33/h6-11,16-20H,2-5,12-15H2,1H3,(H2,38,39,44)/b37-20+
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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 kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
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))
BDBM50147903
PNG
(CHEMBL3763886)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4ccc(F)cc4Cl)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C33H34ClF2N5O4/c1-21-9-13-41(14-10-21)12-3-15-44-32-19-28-25(18-31(32)43-2)29(8-11-37-28)45-30-7-6-24(17-27(30)36)39-33(42)40-38-20-22-4-5-23(35)16-26(22)34/h4-8,11,16-21H,3,9-10,12-15H2,1-2H3,(H2,39,40,42)/b38-20+
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n/an/a 26n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
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))
BDBM50147895
PNG
(CHEMBL3765124)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccs4)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C30H32FN5O4S/c1-38-28-18-23-25(19-29(28)39-15-6-14-36-12-3-2-4-13-36)32-11-10-26(23)40-27-9-8-21(17-24(27)31)34-30(37)35-33-20-22-7-5-16-41-22/h5,7-11,16-20H,2-4,6,12-15H2,1H3,(H2,34,35,37)/b33-20+
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n/an/a 54n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50147888
PNG
(CHEMBL3764184)
Show SMILES COc1ccc(\C=N\NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(OC)cc34)c(F)c2)cc1
Show InChI InChI=1S/C32H34FN5O6/c1-40-24-7-4-22(5-8-24)21-35-37-32(39)36-23-6-9-29(26(33)18-23)44-28-10-11-34-27-20-31(30(41-2)19-25(27)28)43-15-3-12-38-13-16-42-17-14-38/h4-11,18-21H,3,12-17H2,1-2H3,(H2,36,37,39)/b35-21+
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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 kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
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))
BDBM50147919
PNG
(CHEMBL3765283)
Show SMILES COc1cc2c(Oc3ccc(\C=N\NC(=O)Nc4ccccc4)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C32H34FN5O4/c1-40-30-20-25-27(21-31(30)41-18-8-17-38-15-6-3-7-16-38)34-14-13-28(25)42-29-12-11-23(19-26(29)33)22-35-37-32(39)36-24-9-4-2-5-10-24/h2,4-5,9-14,19-22H,3,6-8,15-18H2,1H3,(H2,36,37,39)/b35-22+
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n/an/a 63n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50147891
PNG
(CHEMBL3764320)
Show SMILES COc1ccc(\C=N\NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCC5)c(OC)cc34)c(F)c2)cc1
Show InChI InChI=1S/C32H34FN5O5/c1-40-24-9-6-22(7-10-24)21-35-37-32(39)36-23-8-11-29(26(33)18-23)43-28-12-13-34-27-20-31(30(41-2)19-25(27)28)42-17-5-16-38-14-3-4-15-38/h6-13,18-21H,3-5,14-17H2,1-2H3,(H2,36,37,39)/b35-21+
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n/an/a 72n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
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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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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50147922
PNG
(CHEMBL3763970)
Show SMILES COc1cc2c(Oc3ccc(\C=N\NC(=O)Nc4ccc(F)cc4Br)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C32H32BrF2N5O4/c1-42-30-18-23-27(19-31(30)43-15-5-14-40-12-3-2-4-13-40)36-11-10-28(23)44-29-9-6-21(16-25(29)35)20-37-39-32(41)38-26-8-7-22(34)17-24(26)33/h6-11,16-20H,2-5,12-15H2,1H3,(H2,38,39,41)/b37-20+
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n/an/a 121n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 163n/an/an/an/an/an/a



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 homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 210n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50106497
PNG
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2
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n/an/a 210n/an/an/an/an/an/a



The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human SETD8 (191 to 352 residues) expressed in Escherichia coli Rosseta-2(DE3) cells using histone peptide subst...


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 212n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-alpha (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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n/an/a 367n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Flt-3 (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50075100
PNG
(CHEMBL3414625)
Show SMILES Cc1nc2c(s1)C(=O)C\C(=N/c1ccc(C)cc1)C2=O
Show InChI InChI=1S/C15H12N2O2S/c1-8-3-5-10(6-4-8)17-11-7-12(18)15-13(14(11)19)16-9(2)20-15/h3-6H,7H2,1-2H3/b17-11+
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The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human SETD8 (191 to 352 residues) expressed in Escherichia coli Rosseta-2(DE3) cells using histone peptide subst...


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50075099
PNG
(CHEMBL580421 | TCMDC-124224)
Show SMILES CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc21 |c:5,8|
Show InChI InChI=1S/C14H11NO3/c1-14(2)9-10(15-13(14)18)7-5-3-4-6-8(7)11(16)12(9)17/h3-6,17H,1-2H3
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The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human SETD8 (191 to 352 residues) expressed in Escherichia coli Rosseta-2(DE3) cells using histone peptide subst...


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50051116
PNG
(CHEMBL3318284)
Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12|
Show InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) using biotin-labeled histone H4 (1 to 24 residues) as substrate incubated for 1 hr in presence of [3H-Me]SAM by ...


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50536815
PNG
(CHEMBL4568659)
Show SMILES [H][C@@]12CN(C[C@]1([H])N(C)CCC2)C(=O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C15H19BrN2O/c1-17-7-3-5-12-9-18(10-14(12)17)15(19)11-4-2-6-13(16)8-11/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3/t12-,14+/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) using biotin-labeled histone H4 (1 to 24 residues) as substrate in presence of [3H-Me]SAM by scintillation proxi...


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50147893
PNG
(CHEMBL3764279)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C35H38FN5O5/c1-3-9-24-10-7-11-25(34(24)42)23-38-40-35(43)39-26-12-13-31(28(36)20-26)46-30-14-15-37-29-22-33(32(44-2)21-27(29)30)45-19-8-18-41-16-5-4-6-17-41/h3,7,10-15,20-23,42H,1,4-6,8-9,16-19H2,2H3,(H2,39,40,43)/b38-23+
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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 homogeneous time-resolved fluorescence assay


Bioorg Med Chem 24: 1331-45 (2016)


Article DOI: 10.1016/j.bmc.2016.02.003
BindingDB Entry DOI: 10.7270/Q2V989XB
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50536813
PNG
(CHEMBL4556920)
Show SMILES CN1CCCCC11CCN(CC1)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C17H23BrN2O/c1-19-10-3-2-7-17(19)8-11-20(12-9-17)16(21)14-5-4-6-15(18)13-14/h4-6,13H,2-3,7-12H2,1H3
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The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) using biotin-labeled histone H4 (1 to 24 residues) as substrate in presence of [3H-Me]SAM by scintillation proxi...


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50536814
PNG
(CHEMBL4483751)
Show SMILES [I-].C[N+]1(C)CCCCC11CCN(CC1)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C18H26BrN2O/c1-21(2)13-4-3-8-18(21)9-11-20(12-10-18)17(22)15-6-5-7-16(19)14-15/h5-7,14H,3-4,8-13H2,1-2H3/q+1
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The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) using biotin-labeled histone H4 (1 to 24 residues) as substrate in presence of [3H-Me]SAM by scintillation proxi...


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50075100
PNG
(CHEMBL3414625)
Show SMILES Cc1nc2c(s1)C(=O)C\C(=N/c1ccc(C)cc1)C2=O
Show InChI InChI=1S/C15H12N2O2S/c1-8-3-5-10(6-4-8)17-11-7-12(18)15-13(14(11)19)16-9(2)20-15/h3-6H,7H2,1-2H3/b17-11+
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The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of SETD8 in HEK293T cells assessed as reduction in H4K20me level after 2 to 3 days by Western blot analysis


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM50570058
PNG
(CHEMBL4867199)
Show SMILES CS([O-])(=O)=O.Cn1cc([C+](c2c[nH]c3ccccc23)c2ccc(cc2)C(F)(F)F)c2ccccc12
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n/an/an/a 33n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human N-terminal His-tagged Nur77-LBD (367 to 598 residues) expressed in Escherichia coli BL21 DE3 by surface plasmon...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113020
BindingDB Entry DOI: 10.7270/Q23F4TF9
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50106497
PNG
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2
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The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of SETD8 in HEK293T cells assessed as reduction in H4K20me level after 2 to 3 days by Western blot analysis


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM50570056
PNG
(CHEMBL4877512)
Show SMILES CS([O-])(=O)=O.FC(F)(F)c1ccc(cc1)[C+](c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
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TBA

Assay Description
Binding affinity to recombinant human N-terminal His-tagged Nur77-LBD (367 to 598 residues) expressed in Escherichia coli BL21 DE3 by flourescence qu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113020
BindingDB Entry DOI: 10.7270/Q23F4TF9
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))
BDBM50075099
PNG
(CHEMBL580421 | TCMDC-124224)
Show SMILES CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc21 |c:5,8|
Show InChI InChI=1S/C14H11NO3/c1-14(2)9-10(15-13(14)18)7-5-3-4-6-8(7)11(16)12(9)17/h3-6,17H,1-2H3
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The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of SETD8 in HEK293T cells assessed as reduction in H4K20me level after 2 to 3 days by Western blot analysis


Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM50570058
PNG
(CHEMBL4867199)
Show SMILES CS([O-])(=O)=O.Cn1cc([C+](c2c[nH]c3ccccc23)c2ccc(cc2)C(F)(F)F)c2ccccc12
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TBA

Assay Description
Binding affinity to recombinant human N-terminal His-tagged Nur77-LBD (367 to 598 residues) expressed in Escherichia coli BL21 DE3 by flourescence qu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113020
BindingDB Entry DOI: 10.7270/Q23F4TF9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM50570056
PNG
(CHEMBL4877512)
Show SMILES CS([O-])(=O)=O.FC(F)(F)c1ccc(cc1)[C+](c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
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TBA

Assay Description
Binding affinity to recombinant human N-terminal His-tagged Nur77-LBD (367 to 598 residues) expressed in Escherichia coli BL21 DE3 by surface plasmon...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113020
BindingDB Entry DOI: 10.7270/Q23F4TF9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM50570057
PNG
(CHEMBL4857769)
Show SMILES [Cl-].CCn1cc([C+](c2c[nH]c3ccccc23)c2ccc(cc2)C(F)(F)F)c2ccccc12
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TBA

Assay Description
Binding affinity to recombinant human N-terminal His-tagged Nur77-LBD (367 to 598 residues) expressed in Escherichia coli BL21 DE3 by surface plasmon...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113020
BindingDB Entry DOI: 10.7270/Q23F4TF9
More data for this
Ligand-Target Pair
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