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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50184782'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50184782
PNG
(CHEMBL3824228 | US10294227, Code 543)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C25H36N8O2/c1-25(2,3)35-24(34)29-18-8-6-17(7-9-18)21-20-22(26)27-16-28-23(20)33(30-21)15-14-32-12-10-19(11-13-32)31(4)5/h6-9,16,19H,10-15H2,1-5H3,(H,29,34)(H2,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 55n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...


Bioorg Med Chem Lett 19: 773-7 (2009)


BindingDB Entry DOI: 10.7270/Q27D2XFP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50184782
PNG
(CHEMBL3824228 | US10294227, Code 543)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C25H36N8O2/c1-25(2,3)35-24(34)29-18-8-6-17(7-9-18)21-20-22(26)27-16-28-23(20)33(30-21)15-14-32-12-10-19(11-13-32)31(4)5/h6-9,16,19H,10-15H2,1-5H3,(H,29,34)(H2,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length human SRC expressed in insect cells preincubated for 20 mins using poly[Glu,Tyr]4:1 as substrate meas...


J Med Chem 59: 4697-710 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00065
BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair