Found 3 hits for monomerid = 50425675 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)) | BDBM50425675
(CHEMBL2315579)Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccccc1)C#N)S(C)(=O)=O Show InChI InChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins |
J Med Chem 56: 1160-70 (2013)
Article DOI: 10.1021/jm3016014 BindingDB Entry DOI: 10.7270/Q2GT5PGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50425675
(CHEMBL2315579)Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccccc1)C#N)S(C)(=O)=O Show InChI InChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis |
J Med Chem 56: 1160-70 (2013)
Article DOI: 10.1021/jm3016014 BindingDB Entry DOI: 10.7270/Q2GT5PGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50425675
(CHEMBL2315579)Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccccc1)C#N)S(C)(=O)=O Show InChI InChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis |
J Med Chem 56: 1160-70 (2013)
Article DOI: 10.1021/jm3016014 BindingDB Entry DOI: 10.7270/Q2GT5PGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |