BDBM50368770 CHEMBL1790906

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=HVALUDHLIUASRB-SLPUQLALSA-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 = 50368770   

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 M1 chain (Mus musculus)	BDBM50368770 (CHEMBL1790906) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C43H61N7O12/c1-23(2)18-30(40(58)49-34(43(61)62)21-29-16-12-9-13-17-29)46-37(55)25(5)44-38(56)33(22-35(53)54)47-39(57)31(19-24(3)4)48-42(60)36(26(6)51)50-41(59)32(45-27(7)52)20-28-14-10-8-11-15-28/h8-17,23-26,30-34,36,51H,18-22H2,1-7H3,(H,44,56)(H,45,52)(H,46,55)(H,47,57)(H,48,60)(H,49,58)(H,50,59)(H,53,54)(H,61,62)/t25-,26-,30-,31-,32-,33-,34-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 29-30				J Med Chem 36: 3859-62 (1994) BindingDB Entry DOI: 10.7270/Q2V40VTV
					More data for this Ligand-Target Pair