BDBM50375356 CHEMBL260114
SMILES: COc1cc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc(OC)c1
InChI Key: InChIKey=BMQFLKKGNQVSNN-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50375356 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)) | BDBM50375356
(CHEMBL260114)Show SMILES COc1cc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc(OC)c1 Show InChI InChI=1S/C20H27N7O3/c1-11-6-15(23-10-20(2,3)22)27-19(24-11)16(17(21)28)18(26-27)25-12-7-13(29-4)9-14(8-12)30-5/h6-9,23H,10,22H2,1-5H3,(H2,21,28)(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human cSrc in COS7 cells by ELISA |
Bioorg Med Chem 16: 909-21 (2008)
Article DOI: 10.1016/j.bmc.2007.10.068
BindingDB Entry DOI: 10.7270/Q2CF9R01 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50375356
(CHEMBL260114)Show SMILES COc1cc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)=O)cc(OC)c1 Show InChI InChI=1S/C20H27N7O3/c1-11-6-15(23-10-20(2,3)22)27-19(24-11)16(17(21)28)18(26-27)25-12-7-13(29-4)9-14(8-12)30-5/h6-9,23H,10,22H2,1-5H3,(H2,21,28)(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human cSrc |
Bioorg Med Chem 16: 909-21 (2008)
Article DOI: 10.1016/j.bmc.2007.10.068
BindingDB Entry DOI: 10.7270/Q2CF9R01 |
More data for this
Ligand-Target Pair | |
Search and Browse
