BDBM50287943 (E)-4-[(2R,6R)-6-(4-Chloro-6-methoxy-3-methyl-pyrazolo[3,4-b]quinolin-1-yl)-4-(2-nitro-phenylsulfanyl)-morpholin-2-yl]-1-phenyl-but-2-en-1-one::CHEMBL61161
SMILES: COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@H]1CN(C[C@H](O1)C=CCC(=O)c1ccccc1)Sc1ccccc1[N+]([O-])=O
InChI Key: InChIKey=VQZHNCOSIIVCMD-RNWIMVQKSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GTPase HRas (Homo sapiens (Human)) | BDBM50287943 ((E)-4-[(2R,6R)-6-(4-Chloro-6-methoxy-3-methyl-pyra...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |