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BDBM50050830 (S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(1-ethyl-propoxycarbonylamino)-3,3-dimethyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-propionylamino)-4-methyl-pentanoic acid::CHEMBL262933

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

InChI Key: InChIKey=OPFPCFWGSCFDAB-IBPRQYQWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050830   
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...)		BDBM50050830
PNG
((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(1-ethyl-prop...)
Show SMILES CCC(CC)OC(=O)N[C@H](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)C(C)(C)C
Show InChI InChI=1S/C30H51N5O10/c1-8-18(9-2)45-29(44)34-24(30(5,6)7)27(41)32-19(15-22(36)35-12-10-11-13-35)25(39)31-20(16-23(37)38)26(40)33-21(28(42)43)14-17(3)4/h17-21,24H,8-16H2,1-7H3,(H,31,39)(H,32,41)(H,33,40)(H,34,44)(H,37,38)(H,42,43)/t19-,20-,21-,24+/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 635n/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