BDBM50184049 3-(6-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl)propanoic acid::CHEMBL207491
SMILES: COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)n4)c3n2)cc(OC)c1OC
InChI Key: InChIKey=IXUQRSPUDDOQPA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50184049 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184049
(3-(6-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)n4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C23H23N5O5/c1-31-17-11-16(12-18(32-2)21(17)33-3)26-23-24-13-14-9-10-28(22(14)27-23)19-6-4-5-15(25-19)7-8-20(29)30/h4-6,9-13H,7-8H2,1-3H3,(H,29,30)(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (docked) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184049
(3-(6-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)n4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C23H23N5O5/c1-31-17-11-16(12-18(32-2)21(17)33-3)26-23-24-13-14-9-10-28(22(14)27-23)19-6-4-5-15(25-19)7-8-20(29)30/h4-6,9-13H,7-8H2,1-3H3,(H,29,30)(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 4 | 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)
Article DOI: 10.1016/j.bmcl.2006.02.032 BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |