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BDBM50287961 (E)-5-[(2R,6R)-6-(4-Chloro-6-methoxy-3-methyl-pyrazolo[3,4-b]quinolin-1-yl)-4-(4-nitro-phenylsulfanyl)-morpholin-2-yl]-pent-3-en-2-one::CHEMBL59515

SMILES: COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@H]1CN(C[C@H](O1)C=CCC(C)=O)Sc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=LTDWFZQQPFUIBC-HYBUGGRVSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287961   
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))
BDBM50287961
PNG
((E)-5-[(2R,6R)-6-(4-Chloro-6-methoxy-3-methyl-pyra...)
Show SMILES COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@H]1CN(C[C@H](O1)C=CCC(C)=O)Sc1ccc(cc1)[N+]([O-])=O |w:24.28|
Show InChI InChI=1S/C27H26ClN5O5S/c1-16(34)5-4-6-20-14-31(39-21-10-7-18(8-11-21)33(35)36)15-24(38-20)32-27-25(17(2)30-32)26(28)22-13-19(37-3)9-12-23(22)29-27/h4,6-13,20,24H,5,14-15H2,1-3H3/t20-,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 3.00E+3n/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