BDBM50414005 CHEMBL474998
SMILES: Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(OCCNCCO)cc1
InChI Key: InChIKey=ZLWLGAHYICQJMI-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50414005 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 |
Calmodulin/Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50414005
(CHEMBL474998)Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(OCCNCCO)cc1 Show InChI InChI=1S/C22H23N5O3/c23-21-20-19(15-2-1-3-17(29)12-15)13-27(22(20)26-14-25-21)16-4-6-18(7-5-16)30-11-9-24-8-10-28/h1-7,12-14,24,28-29H,8-11H2,(H2,23,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of c-Src kinase (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-012-0308-3 BindingDB Entry DOI: 10.7270/Q2BZ68ZH |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50414005
(CHEMBL474998)Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(OCCNCCO)cc1 Show InChI InChI=1S/C22H23N5O3/c23-21-20-19(15-2-1-3-17(29)12-15)13-27(22(20)26-14-25-21)16-4-6-18(7-5-16)30-11-9-24-8-10-28/h1-7,12-14,24,28-29H,8-11H2,(H2,23,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of c-Src |
Eur J Med Chem 44: 990-1000 (2009)
Article DOI: 10.1016/j.ejmech.2008.07.002 BindingDB Entry DOI: 10.7270/Q2ZC8434 |
More data for this Ligand-Target Pair | |