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BDBM50050837 (S)-2-[(S)-3-Carboxy-2-((S)-2-{3-[3-(1-ethyl-propyl)-ureido]-2-oxo-pyrrolidin-1-yl}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-propionylamino]-4-methyl-pentanoic acid::CHEMBL68987

SMILES: CCC(CC)NC(=O)NC1CCN([C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C1=O

InChI Key: InChIKey=WPJOSDRKMMGXIN-KTYMLHDXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050837   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Ribonucleoside-diphosphate reductase large chain


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50050837
PNG
((S)-2-[(S)-3-Carboxy-2-((S)-2-{3-[3-(1-ethyl-propy...)
Show SMILES CCC(CC)NC(=O)NC1CCN([C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C1=O
Show InChI InChI=1S/C28H46N6O9/c1-5-17(6-2)29-28(43)32-18-9-12-34(26(18)40)21(15-22(35)33-10-7-8-11-33)25(39)30-19(14-23(36)37)24(38)31-20(27(41)42)13-16(3)4/h16-21H,5-15H2,1-4H3,(H,30,39)(H,31,38)(H,36,37)(H,41,42)(H2,29,32,43)/t18?,19-,20-,21-/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Bio-Méga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)

J Med Chem 39: 2178-87 (1996)


Article DOI: 10.1021/jm950825x
BindingDB Entry DOI: 10.7270/Q2BG2N22
More data for this
Ligand-Target Pair