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BDBM50287956 Benzoic acid (3aR,4R,6R,6aR)-6-(4-chloro-6-methoxy-3-methyl-pyrazolo[3,4-b]quinolin-1-yl)-2-thioxo-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester::CHEMBL302230

SMILES: COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H]2OC(=S)O[C@@H]12

InChI Key: InChIKey=NRIFCDHASQQGKU-XMXZMMKCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287956   
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
GTPase HRas


(Homo sapiens (Human))
BDBM50287956
PNG
(Benzoic acid (3aR,4R,6R,6aR)-6-(4-chloro-6-methoxy...)
Show SMILES COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H]2OC(=S)O[C@@H]12
Show InChI InChI=1S/C25H20ClN3O6S/c1-12-18-19(26)15-10-14(31-2)8-9-16(15)27-22(18)29(28-12)23-21-20(34-25(36)35-21)17(33-23)11-32-24(30)13-6-4-3-5-7-13/h3-10,17,20-21,23H,11H2,1-2H3/t17-,20-,21-,23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of nucleotide exchange process of oncogenic Ras in vitro


Bioorg Med Chem Lett 6: 195-200 (1996)


Article DOI: 10.1016/0960-894X(95)00574-D
BindingDB Entry DOI: 10.7270/Q2G160TB
More data for this
Ligand-Target Pair