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BDBM50050833 (S)-2-[(S)-3-Carboxy-2-(2-{(S)-2-[3-(1-ethyl-propyl)-ureido]-3,3-dimethyl-butyrylamino}-3-methylcarbamoyl-propionylamino)-propionylamino]-4-methyl-pentanoic acid::CHEMBL2369478

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

InChI Key: InChIKey=HYARHEXGMAVBSY-RYLXDESZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050833   
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...)		BDBM50050833
PNG
((S)-2-[(S)-3-Carboxy-2-(2-{(S)-2-[3-(1-ethyl-propy...)
Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)NC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C27H48N6O9/c1-9-15(10-2)29-26(42)33-21(27(5,6)7)24(39)31-16(12-19(34)28-8)22(37)30-17(13-20(35)36)23(38)32-18(25(40)41)11-14(3)4/h14-18,21H,9-13H2,1-8H3,(H,28,34)(H,30,37)(H,31,39)(H,32,38)(H,35,36)(H,40,41)(H2,29,33,42)/t16-,17-,18-,21+/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 35n/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