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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase large chain' and Ligand = 'BDBM50050825'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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