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

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 = 50287945   

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))	BDBM50287945 (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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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