BDBM50247438 CHEMBL4084809

SMILES: CC1(C)C2CC(CS(=O)(=O)N\N=C\c3c(O)ccc4ccccc34)C1C(=O)C2

InChI Key: InChIKey=MLVQZRGMKSBGAB-SSDVNMTOSA-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 = 50247438   

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))	BDBM50247438 (CHEMBL4084809) Show SMILES CC1(C)C2CC(CS(=O)(=O)N\N=C\c3c(O)ccc4ccccc34)C1C(=O)C2 |TLB:26:25:1:5.4,6:5:1:27.25| Show InChI InChI=1S/C21H24N2O4S/c1-21(2)15-9-14(20(21)19(25)10-15)12-28(26,27)23-22-11-17-16-6-4-3-5-13(16)7-8-18(17)24/h3-8,11,14-15,20,23-24H,9-10,12H2,1-2H3/b22-11+	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	2.98E+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