BDBM50053973 (S)-3-((S)-2-{(S)-2-[3-(1-Ethyl-propyl)-ureido]-3,3-dimethyl-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-N-((S)-1-hydroxymethyl-3,3-dimethyl-butyl)-succinamic acid::CHEMBL134961

SMILES: CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CO)CC(C)(C)C)C(C)(C)C

InChI Key: InChIKey=ZJTODRDPAGWPEJ-DEJKCJRPSA-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 = 50053973   

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
RRM1/RRM2 holoenzyme (Homo sapiens (Human))	BDBM50053973 ((S)-3-((S)-2-{(S)-2-[3-(1-Ethyl-propyl)-ureido]-3,...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CO)CC(C)(C)C)C(C)(C)C Show InChI InChI=1S/C31H56N6O8/c1-9-19(10-2)33-29(45)36-25(31(6,7)8)28(44)35-21(15-23(39)37-13-11-12-14-37)27(43)34-22(16-24(40)41)26(42)32-20(18-38)17-30(3,4)5/h19-22,25,38H,9-18H2,1-8H3,(H,32,42)(H,34,43)(H,35,44)(H,40,41)(H2,33,36,45)/t20-,21-,22-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.				J Med Chem 39: 4173-80 (1996) Article DOI: 10.1021/jm960324r BindingDB Entry DOI: 10.7270/Q28W3DZQ
					More data for this Ligand-Target Pair