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BDBM50375360 CHEMBL261188

SMILES: COc1cc(Nc2nn3c(N[C@H](CO)Cc4cccnc4)cc(nc3c2C(N)=O)C2CC2)cc(OC)c1

InChI Key: InChIKey=KEUKMRIEUDIXLY-SFHVURJKSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50375360   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50375360
PNG
(CHEMBL261188)
Show SMILES COc1cc(Nc2nn3c(N[C@H](CO)Cc4cccnc4)cc(nc3c2C(N)=O)C2CC2)cc(OC)c1
Show InChI InChI=1S/C26H29N7O4/c1-36-19-9-17(10-20(11-19)37-2)30-25-23(24(27)35)26-31-21(16-5-6-16)12-22(33(26)32-25)29-18(14-34)8-15-4-3-7-28-13-15/h3-4,7,9-13,16,18,29,34H,5-6,8,14H2,1-2H3,(H2,27,35)(H,30,32)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/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))
BDBM50375360
PNG
(CHEMBL261188)
Show SMILES COc1cc(Nc2nn3c(N[C@H](CO)Cc4cccnc4)cc(nc3c2C(N)=O)C2CC2)cc(OC)c1
Show InChI InChI=1S/C26H29N7O4/c1-36-19-9-17(10-20(11-19)37-2)30-25-23(24(27)35)26-31-21(16-5-6-16)12-22(33(26)32-25)29-18(14-34)8-15-4-3-7-28-13-15/h3-4,7,9-13,16,18,29,34H,5-6,8,14H2,1-2H3,(H2,27,35)(H,30,32)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/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