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BDBM50050825 (S)-2-((S)-3-Carboxy-2-{[1-{(S)-2-[3-(1-ethyl-propyl)-ureido]-3,3-dimethyl-butyryl}-3-(pyrrolidine-1-carbonyl)-pyrrolidine-2-carbonyl]-amino}-propionylamino)-4-methyl-pentanoic acid::CHEMBL2369482

SMILES: CCC(CC)NC(=O)N[C@H](C(=O)N1CCC([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N1CCCC1)C(C)(C)C

InChI Key: InChIKey=DSTSPNSXBAVLLD-PVIYGCCTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050825   
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...)		BDBM50050825
PNG
((S)-2-((S)-3-Carboxy-2-{[1-{(S)-2-[3-(1-ethyl-prop...)
Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N1CCC([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N1CCCC1)C(C)(C)C
Show InChI InChI=1S/C32H54N6O9/c1-8-19(9-2)33-31(47)36-25(32(5,6)7)29(44)38-15-12-20(28(43)37-13-10-11-14-37)24(38)27(42)34-21(17-23(39)40)26(41)35-22(30(45)46)16-18(3)4/h18-22,24-25H,8-17H2,1-7H3,(H,34,42)(H,35,41)(H,39,40)(H,45,46)(H2,33,36,47)/t20?,21-,22-,24-,25+/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 108n/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