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BDBM50287945 5-(4-chloro-6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-1-yl)-3,4-di(phenylcarbonyloxy)-2-phenylcarbonyloxymethyl-(2R,3R,4R,5R)-tetrahydrofuran::CHEMBL303512

SMILES: COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

InChI Key: InChIKey=XAEVIUOLWCMPKA-RWGWTQFJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287945   
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))
BDBM50287945
PNG
(5-(4-chloro-6-methoxy-3-methyl-1H-pyrazolo[3,4-b]q...)
Show SMILES COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Show InChI InChI=1S/C38H30ClN3O8/c1-22-30-31(39)27-20-26(46-2)18-19-28(27)40-34(30)42(41-22)35-33(50-38(45)25-16-10-5-11-17-25)32(49-37(44)24-14-8-4-9-15-24)29(48-35)21-47-36(43)23-12-6-3-7-13-23/h3-20,29,32-33,35H,21H2,1-2H3/t29-,32-,33-,35-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of nucleotide exchange process of oncogenic Ras


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