BDBM50033476 (S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)-2-(3-phenyl-propionylamino)-butyrylamino]-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-propionylamino]-4-methyl-pentanoic acid::CHEMBL331870

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

InChI Key: InChIKey=QFCXVCSIQMITJP-IEOQJQNDSA-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 = 50033476   

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))	BDBM50033476 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)...) Show SMILES CC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C36H54N6O10/c1-6-24(37-28(43)15-14-23-12-8-7-9-13-23)32(47)41-31(22(4)5)35(50)39-25(19-29(44)42-16-10-11-17-42)33(48)38-26(20-30(45)46)34(49)40-27(36(51)52)18-21(2)3/h7-9,12-13,21-22,24-27,31H,6,10-11,14-20H2,1-5H3,(H,37,43)(H,38,48)(H,39,50)(H,40,49)(H,41,47)(H,45,46)(H,51,52)/t24-,25-,26-,27-,31-/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	340	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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