BDBM50247420 CHEMBL4095000

SMILES: COc1cc(\C=N\N=C\c2c(O)ccc3ccccc23)ccc1O

InChI Key: InChIKey=XWQAYIGSWJAMRE-HGEIODPWSA-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 = 50247420   

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
Ribonucleoside-diphosphate reductase large subunit (Homo sapiens (Human))	BDBM50247420 (CHEMBL4095000) Show SMILES COc1cc(\C=N\N=C\c2c(O)ccc3ccccc23)ccc1O Show InChI InChI=1S/C19H16N2O3/c1-24-19-10-13(6-8-18(19)23)11-20-21-12-16-15-5-3-2-4-14(15)7-9-17(16)22/h2-12,22-23H,1H3/b20-11+,21-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.87E+5	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...				J Med Chem 61: 666-680 (2018) BindingDB Entry DOI: 10.7270/Q2W098CB
					More data for this Ligand-Target Pair