Found 1136 hits with Last Name = 'teffera' and Initial = 'y' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Hepatocyte growth factor receptor [1078-1345,H1094R,L1272V]
(Homo sapiens (Human)) | BDBM24466
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | -52.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24459
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C28H23FN4O4/c1-17-26(28(35)33(32(17)2)19-7-5-4-6-8-19)27(34)31-18-9-12-25(22(29)15-18)37-24-13-14-30-23-16-20(36-3)10-11-21(23)24/h4-16H,1-3H3,(H,31,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | -50.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24462
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r| Show InChI InChI=1S/C30H27FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16,18,36H,17H2,1-3H3,(H,33,37)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
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Similars
| PDB
Article
PubMed
| 1 | -50.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24460
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1 Show InChI InChI=1S/C30H27FN4O4/c1-4-16-34-19(2)28(30(37)35(34)21-8-6-5-7-9-21)29(36)33-20-10-13-27(24(31)17-20)39-26-14-15-32-25-18-22(38-3)11-12-23(25)26/h5-15,17-18H,4,16H2,1-3H3,(H,33,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.02 | -50.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24463
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r| Show InChI InChI=1S/C30H27FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16,18,36H,17H2,1-3H3,(H,33,37)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | -50.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor [1078-1345,V1092I,L1272V]
(Homo sapiens (Human)) | BDBM24466
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36) | PDB
MMDB
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B.MOAD
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PC cid
PC sid
UniChem
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| Article
PubMed
| 1.10 | -50.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24466
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36) | PDB
MMDB
KEGG
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DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.20 | -50.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24464
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)=O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C30H25FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16H,17H2,1-3H3,(H,33,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.30 | -50.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Mus musculus) | BDBM24466
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | -49.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM24464
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)=O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C30H25FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16H,17H2,1-3H3,(H,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | -49.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor [1078-1345,D1228H,L1272V]
(Homo sapiens (Human)) | BDBM24466
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36) | PDB
MMDB
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B.MOAD
GoogleScholar
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| Purchase
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PC cid
PC sid
UniChem
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| Article
PubMed
| 2.20 | -48.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24465
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(21-8-6-5-7-9-21)35(19)18-31(2,3)39)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(40-4)11-12-23(25)26/h5-17,39H,18H2,1-4H3,(H,34,37) | PDB
MMDB
KEGG
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PC cid
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UniChem
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| PDB
Article
PubMed
| 2.70 | -48.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hepatocyte growth factor receptor [1078-1345,M1250T,L1272V]
(Homo sapiens (Human)) | BDBM24466
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.10 | -47.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor [1078-1345,Y1230H,L1272V]
(Homo sapiens (Human)) | BDBM24466
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.5 | -47.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24461
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C31H29FN4O4/c1-19(2)18-35-20(3)29(31(38)36(35)22-8-6-5-7-9-22)30(37)34-21-10-13-28(25(32)16-21)40-27-14-15-33-26-17-23(39-4)11-12-24(26)27/h5-17,19H,18H2,1-4H3,(H,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | -45.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM24459
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C28H23FN4O4/c1-17-26(28(35)33(32(17)2)19-7-5-4-6-8-19)27(34)31-18-9-12-25(22(29)15-18)37-24-13-14-30-23-16-20(36-3)10-11-21(23)24/h4-16H,1-3H3,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24 | -43.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302904
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM24463
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r| Show InChI InChI=1S/C30H27FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16,18,36H,17H2,1-3H3,(H,33,37)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 386 | -36.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM24462
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r| Show InChI InChI=1S/C30H27FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16,18,36H,17H2,1-3H3,(H,33,37)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 396 | -36.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361983
(CHEMBL1939697)Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as unbound inhibitor concentration required for half maximal enz... |
Drug Metab Dispos 40: 1429-40 (2012)
Article DOI: 10.1124/dmd.112.045708
BindingDB Entry DOI: 10.7270/Q23N254Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361983
(CHEMBL1939697)Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as unbound inhibitor concentration required for half maximal ... |
Drug Metab Dispos 40: 1429-40 (2012)
Article DOI: 10.1124/dmd.112.045708
BindingDB Entry DOI: 10.7270/Q23N254Q |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM24461
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C31H29FN4O4/c1-19(2)18-35-20(3)29(31(38)36(35)22-8-6-5-7-9-22)30(37)34-21-10-13-28(25(32)16-21)40-27-14-15-33-26-17-23(39-4)11-12-24(26)27/h5-17,19H,18H2,1-4H3,(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 999 | -33.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM24465
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(21-8-6-5-7-9-21)35(19)18-31(2,3)39)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(40-4)11-12-23(25)26/h5-17,39H,18H2,1-4H3,(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.16E+3 | -33.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302905
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1 Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361983
(CHEMBL1939697)Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS an... |
Drug Metab Dispos 40: 1429-40 (2012)
Article DOI: 10.1124/dmd.112.045708
BindingDB Entry DOI: 10.7270/Q23N254Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361983
(CHEMBL1939697)Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS analy... |
Drug Metab Dispos 40: 1429-40 (2012)
Article DOI: 10.1124/dmd.112.045708
BindingDB Entry DOI: 10.7270/Q23N254Q |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM24466
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.10E+3 | -30.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236362
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1695-705 (2008)
Article DOI: 10.1021/jm701129j
BindingDB Entry DOI: 10.7270/Q28K79ZW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50375681
(CHEMBL411630)Show SMILES COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(C)cc3)c2cc1OC Show InChI InChI=1S/C27H25N3O5/c1-17-4-6-18(7-5-17)29-27(31)30-12-13-34-24-14-19(8-9-22(24)30)35-23-10-11-28-21-16-26(33-3)25(32-2)15-20(21)23/h4-11,14-16H,12-13H2,1-3H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1695-705 (2008)
Article DOI: 10.1021/jm701129j
BindingDB Entry DOI: 10.7270/Q28K79ZW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376042
(CHEMBL409512)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1C(N)=O Show InChI InChI=1S/C28H20ClN3O4/c1-35-26-15-24-22(14-23(26)27(30)33)25(11-12-31-24)36-19-9-10-20-16(13-19)3-2-4-21(20)28(34)32-18-7-5-17(29)6-8-18/h2-15H,1H3,(H2,30,33)(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1649-67 (2008)
Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376025
(AMG-0309 | CHEMBL409538)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccon3)c2cc1OC Show InChI InChI=1S/C25H19N3O5/c1-30-22-13-19-20(14-23(22)31-2)26-10-8-21(19)33-16-6-7-17-15(12-16)4-3-5-18(17)25(29)27-24-9-11-32-28-24/h3-14H,1-2H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1649-67 (2008)
Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50341056
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12 Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-Screen enzyme assay |
Bioorg Med Chem Lett 21: 2064-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50341056
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12 Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta |
Bioorg Med Chem Lett 21: 2064-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376040
(CHEMBL272824)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c2cc1OC Show InChI InChI=1S/C28H22N2O4/c1-32-26-16-23-24(17-27(26)33-2)29-14-13-25(23)34-20-11-12-21-18(15-20)7-6-10-22(21)28(31)30-19-8-4-3-5-9-19/h3-17H,1-2H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1649-67 (2008)
Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50109899
((R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...)Show SMILES CCOc1ccc(cc1)[C@@H](CC(O)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C22H24Cl2N2O6S/c1-2-32-17-7-5-14(6-8-17)19(13-21(27)28)25-22(29)20-4-3-9-26(20)33(30,31)18-11-15(23)10-16(24)12-18/h5-8,10-12,19-20H,2-4,9,13H2,1H3,(H,25,29)(H,27,28)/t19-,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-4 beta-1 receptor (VLA-4) in human RPMI-8866 cells using [125I]-VCAM-Ig ligand |
Bioorg Med Chem Lett 12: 611-4 (2002)
BindingDB Entry DOI: 10.7270/Q29P30Z0 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376030
(CHEMBL269916)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(Cl)cc(Cl)c3)c2cc1OC Show InChI InChI=1S/C28H20Cl2N2O4/c1-34-26-14-23-24(15-27(26)35-2)31-9-8-25(23)36-20-6-7-21-16(10-20)4-3-5-22(21)28(33)32-19-12-17(29)11-18(30)13-19/h3-15H,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1649-67 (2008)
Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376026
(CHEMBL272691)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3nccs3)c2cc1OC Show InChI InChI=1S/C25H19N3O4S/c1-30-22-13-19-20(14-23(22)31-2)26-9-8-21(19)32-16-6-7-17-15(12-16)4-3-5-18(17)24(29)28-25-27-10-11-33-25/h3-14H,1-2H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1649-67 (2008)
Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376019
(CHEMBL429585)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3F)C(=O)Nc3ccc(Cl)cc3)c2cc1OC Show InChI InChI=1S/C28H20ClFN2O4/c1-34-25-14-21-22(15-26(25)35-2)31-13-12-23(21)36-24-11-10-18-19(27(24)30)4-3-5-20(18)28(33)32-17-8-6-16(29)7-9-17/h3-15H,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1649-67 (2008)
Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376036
(CHEMBL270092)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccc(Cl)c3)c2cc1OC Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-12-11-25(23)35-20-9-10-21-17(13-20)5-3-8-22(21)28(32)31-19-7-4-6-18(29)14-19/h3-16H,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1649-67 (2008)
Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50109908
((R)-3-(4-Cyclopropoxy-phenyl)-3-{[(S)-1-(3,5-dichl...)Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OC2CC2)cc1 Show InChI InChI=1S/C22H22Cl2N2O6S/c23-14-9-15(24)11-18(10-14)33(30,31)26-8-7-20(26)22(29)25-19(12-21(27)28)13-1-3-16(4-2-13)32-17-5-6-17/h1-4,9-11,17,19-20H,5-8,12H2,(H,25,29)(H,27,28)/t19-,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-4 beta-1 receptor (VLA-4) in human RPMI-8866 cells using [125I]-VCAM-Ig ligand |
Bioorg Med Chem Lett 12: 611-4 (2002)
BindingDB Entry DOI: 10.7270/Q29P30Z0 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50375996
(CHEMBL272250)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1C(N)=O Show InChI InChI=1S/C25H21N3O4/c1-31-23-13-21-19(12-20(23)24(26)29)22(9-10-27-21)32-16-7-8-17-14(11-16)3-2-4-18(17)25(30)28-15-5-6-15/h2-4,7-13,15H,5-6H2,1H3,(H2,26,29)(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 51: 1668-80 (2008)
Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50109917
((R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azeti...)Show SMILES COc1ccc(cc1)[C@@H](CC(O)=O)NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N2O6S/c1-30-15-4-2-12(3-5-15)17(11-19(25)26)23-20(27)18-6-7-24(18)31(28,29)16-9-13(21)8-14(22)10-16/h2-5,8-10,17-18H,6-7,11H2,1H3,(H,23,27)(H,25,26)/t17-,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-4 beta-1 receptor (VLA-4) in human RPMI-8866 cells using [125I]-VCAM-Ig ligand |
Bioorg Med Chem Lett 12: 611-4 (2002)
BindingDB Entry DOI: 10.7270/Q29P30Z0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50109917
((R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azeti...)Show SMILES COc1ccc(cc1)[C@@H](CC(O)=O)NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N2O6S/c1-30-15-4-2-12(3-5-15)17(11-19(25)26)23-20(27)18-6-7-24(18)31(28,29)16-9-13(21)8-14(22)10-16/h2-5,8-10,17-18H,6-7,11H2,1H3,(H,23,27)(H,25,26)/t17-,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha-4 beta-1 receptor (VLA-4) in human RPMI-8866 cells using [125I]-VCAM-Ig ligand |
Bioorg Med Chem Lett 12: 611-4 (2002)
BindingDB Entry DOI: 10.7270/Q29P30Z0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50341056
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12 Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
Bioorg Med Chem Lett 21: 2064-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50375999
(CHEMBL270342)Show SMILES COc1ccc2c(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)ccnc2c1 Show InChI InChI=1S/C24H20N2O3/c1-28-17-7-10-21-22(14-17)25-12-11-23(21)29-18-8-9-19-15(13-18)3-2-4-20(19)24(27)26-16-5-6-16/h2-4,7-14,16H,5-6H2,1H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 51: 1668-80 (2008)
Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236362
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 51: 1668-80 (2008)
Article DOI: 10.1021/jm701098w
BindingDB Entry DOI: 10.7270/Q2F47Q0C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50375690
(CHEMBL270954)Show SMILES COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(C)cc3)c2cc1C(N)=O Show InChI InChI=1S/C27H24N4O5/c1-16-3-5-17(6-4-16)30-27(33)31-11-12-35-25-13-18(7-8-22(25)31)36-23-9-10-29-21-15-24(34-2)20(26(28)32)14-19(21)23/h3-10,13-15H,11-12H2,1-2H3,(H2,28,32)(H,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1695-705 (2008)
Article DOI: 10.1021/jm701129j
BindingDB Entry DOI: 10.7270/Q28K79ZW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50375679
(CHEMBL270548)Show SMILES COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC Show InChI InChI=1S/C26H22ClN3O5/c1-32-24-14-19-20(15-25(24)33-2)28-10-9-22(19)35-18-7-8-21-23(13-18)34-12-11-30(21)26(31)29-17-5-3-16(27)4-6-17/h3-10,13-15H,11-12H2,1-2H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1695-705 (2008)
Article DOI: 10.1021/jm701129j
BindingDB Entry DOI: 10.7270/Q28K79ZW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236362
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR by HTRF assay |
J Med Chem 51: 1649-67 (2008)
Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236362
(CHEMBL429743 | N-(4-chlorophenyl)-6-(6,7-dimethoxy...)Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC Show InChI InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
Bioorg Med Chem Lett 18: 4054-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.114
BindingDB Entry DOI: 10.7270/Q2KK9BJG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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