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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GTPase HRas' and Ligand = 'BDBM50059857'   
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
GTPase HRas


(Homo sapiens (Human))
BDBM50059857
PNG
(CHEMBL102955 | [(S)-1-[(4-Benzyloxy-benzyl)-(phene...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C38H39N5O5/c44-36(40-21-20-29-10-4-1-5-11-29)25-43(24-30-16-18-34(19-17-30)47-26-31-12-6-2-7-13-31)37(45)35(22-33-23-39-28-41-33)42-38(46)48-27-32-14-8-3-9-15-32/h1-19,23,28,35H,20-22,24-27H2,(H,39,41)(H,40,44)(H,42,46)/t35-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair