BDBM50201233 4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)quinoline-3-carbonitrile::CHEMBL240415
SMILES: COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)c(Cl)cc1Cl
InChI Key: InChIKey=CEWKJJLIUMKWDY-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50201233 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 |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201233
(4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(4-meth...)Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-6-7-20-23(13-18)30-17-19(16-29)26(20)31-24-15-25(34-2)22(28)14-21(24)27/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077 BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201233
(4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(4-meth...)Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-6-7-20-23(13-18)30-17-19(16-29)26(20)31-24-15-25(34-2)22(28)14-21(24)27/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077 BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this Ligand-Target Pair | |