BDBM50287951 3-[(3aS,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-yloxy]-3-hydroxy-1-phenyl-propan-1-one::CHEMBL304862

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

InChI Key: InChIKey=IHUZWPJOGDHHIR-HSMVQBMHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287951   

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))	BDBM50287951 (3-[(3aS,4R,6R,6aR)-6-(4-Chloro-6-methoxy-3-methyl-...) Show SMILES COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@@H]1O[C@H](OC(O)CC(=O)c2ccccc2)[C@H]2OC(=S)O[C@@H]12 Show InChI InChI=1S/C26H22ClN3O7S/c1-12-19-20(27)15-10-14(33-2)8-9-16(15)28-23(19)30(29-12)24-21-22(36-26(38)35-21)25(37-24)34-18(32)11-17(31)13-6-4-3-5-7-13/h3-10,18,21-22,24-25,32H,11H2,1-2H3/t18?,21-,22+,24-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	1.50E+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