PDB code 2ETM
Identical Ligands in BindingDB
Found 2 hits Enzyme Inhibition Constant Data 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 |
|---|
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
(279/279 = 100%)†
(Homo sapiens (human)) | BDBM50182010
(7-(pyridin-2-yl)-N-(2,4,6-trimethoxyphenyl)-7H-pyr...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibitory activity against FAK |
Bioorg Med Chem Lett 16: 2173-6 (2006)
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
(279/279 = 100%)†
(Homo sapiens (human)) | BDBM50182010
(7-(pyridin-2-yl)-N-(2,4,6-trimethoxyphenyl)-7H-pyr...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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- Change energy units to: kcal/mole
Search BindingMOAD for More Affinity Data:
* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output
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