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BDBM50050820 (S)-2-[(S)-3-Carboxy-2-((S)-2-{2-[3-(1-ethyl-propyl)-ureido]-propionylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-propionylamino]-4-methyl-pentanoic acid::CHEMBL2369479

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

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050820   
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...)		BDBM50050820
PNG
((S)-2-[(S)-3-Carboxy-2-((S)-2-{2-[3-(1-ethyl-propy...)
Show SMILES CCC(CC)NC(=O)N[C@@H](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/C27H46N6O9/c1-6-17(7-2)29-27(42)28-16(5)23(37)30-18(13-21(34)33-10-8-9-11-33)24(38)31-19(14-22(35)36)25(39)32-20(26(40)41)12-15(3)4/h15-20H,6-14H2,1-5H3,(H,30,37)(H,31,38)(H,32,39)(H,35,36)(H,40,41)(H2,28,29,42)/t16-,18-,19-,20-/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.10E+4n/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