BDBM50033474 (S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)-2-(3-phenyl-propionylamino)-propionylamino]-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-propionylamino]-4-methyl-pentanoic acid::CHEMBL120263

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCc1ccccc1)C(C)C)C(O)=O

InChI Key: InChIKey=WIAXSKZWECGXJA-HOGRAXFGSA-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 = 50033474   

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))	BDBM50033474 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C35H52N6O10/c1-20(2)17-26(35(50)51)39-33(48)25(19-29(44)45)37-32(47)24(18-28(43)41-15-9-10-16-41)38-34(49)30(21(3)4)40-31(46)22(5)36-27(42)14-13-23-11-7-6-8-12-23/h6-8,11-12,20-22,24-26,30H,9-10,13-19H2,1-5H3,(H,36,42)(H,37,47)(H,38,49)(H,39,48)(H,40,46)(H,44,45)(H,50,51)/t22-,24-,25-,26-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against HSV ribonucleotide reductase				J Med Chem 38: 3617-23 (1995) BindingDB Entry DOI: 10.7270/Q21V5FMW
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