new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50313647'   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50313647
PNG
(3-(2-(2-chlorobenzyl)-1H-benzo[d]imidazol-6-yl)-1-...)
Show SMILES COCCCN1CCC(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4Cl)[nH]c3c2)c2c(N)ncnc12 |r,wU:14.18,wD:11.11,(7.5,-14.98,;6.88,-13.57,;7.78,-12.33,;7.16,-10.92,;8.06,-9.67,;7.43,-8.27,;8.34,-7.02,;7.71,-5.61,;6.18,-5.45,;5.28,-6.7,;5.9,-8.11,;5.55,-4.05,;6.46,-2.8,;5.83,-1.39,;4.3,-1.23,;3.4,-2.48,;4.02,-3.89,;3.68,.17,;2.17,.49,;2.01,2.03,;.67,2.8,;.67,4.34,;-.66,5.11,;-1.99,4.34,;-3.46,4.81,;-4.36,3.57,;-5.9,3.57,;-6.67,4.9,;-5.9,6.23,;-6.67,7.57,;-8.21,7.57,;-8.98,6.23,;-8.21,4.9,;-8.98,3.57,;-3.46,2.32,;-1.99,2.8,;-.66,2.03,;3.42,2.65,;3.89,4.12,;2.86,5.26,;5.4,4.44,;6.43,3.29,;5.95,1.83,;4.45,1.51,)|
Show InChI InChI=1S/C34H41ClN8O/c1-44-18-4-15-42-16-13-23(14-17-42)22-7-10-26(11-8-22)43-34-31(33(36)37-21-38-34)32(41-43)25-9-12-28-29(19-25)40-30(39-28)20-24-5-2-3-6-27(24)35/h2-3,5-6,9,12,19,21-23,26H,4,7-8,10-11,13-18,20H2,1H3,(H,39,40)(H2,36,37,38)/t22-,26?
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of erbB2


J Med Chem 53: 1413-37 (2010)


Article DOI: 10.1021/jm901132v
BindingDB Entry DOI: 10.7270/Q2VD6ZK0
More data for this
Ligand-Target Pair