BDBM50033453 1-((S)-((S)-1-Carboxy-3-methyl-butylcarbamoyl)-{(S)-2-[(S)-2-(2-ethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-methyl)-cyclopent-3-enecarboxylic acid::CHEMBL120710

SMILES: CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C1(CC=CC1)C(O)=O)C(C)(C)C

InChI Key: InChIKey=VTABFDXOHRLLHO-IHBRBHLJSA-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 = 50033453   

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))	BDBM50033453 (1-((S)-((S)-1-Carboxy-3-methyl-butylcarbamoyl)-{(S...) Show SMILES CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C1(CC=CC1)C(O)=O)C(C)(C)C |c:39| Show InChI InChI=1S/C34H55N5O9/c1-8-21(9-2)27(41)37-25(33(5,6)7)29(43)35-22(19-24(40)39-16-12-13-17-39)28(42)38-26(34(32(47)48)14-10-11-15-34)30(44)36-23(31(45)46)18-20(3)4/h10-11,20-23,25-26H,8-9,12-19H2,1-7H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,45,46)(H,47,48)/t22-,23-,25+,26+/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	6.40	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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