BDBM50053981 (S)-2-((S)-3-Carboxy-2-{(2R,5S)-2-(3,3-dimethyl-2-oxo-butyl)-5-[3-(1-ethyl-propyl)-ureido]-6,6-dimethyl-4-oxo-heptanoylamino}-propionylamino)-4-methyl-pentanoic acid::CHEMBL335164

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

InChI Key: InChIKey=ZNVYUVZJDGFHLU-XZNRUFCYSA-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 = 50053981   

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))	BDBM50053981 ((S)-2-((S)-3-Carboxy-2-{(2R,5S)-2-(3,3-dimethyl-2-...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)C[C@@H](CC(=O)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C31H54N4O9/c1-11-19(12-2)32-29(44)35-25(31(8,9)10)22(36)14-18(15-23(37)30(5,6)7)26(40)33-20(16-24(38)39)27(41)34-21(28(42)43)13-17(3)4/h17-21,25H,11-16H2,1-10H3,(H,33,40)(H,34,41)(H,38,39)(H,42,43)(H2,32,35,44)/t18-,20-,21-,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	5	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