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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase large subunit' and Ligand = 'BDBM50050835'   
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 subunit


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50050835
PNG
((S)-2-[(S)-3-Carboxy-2-((S)-2-{3-[3-(1-ethyl-propy...)
Show SMILES CCC(CC)NC(=O)NC1CCCN([C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C1=O
Show InChI InChI=1S/C29H48N6O9/c1-5-18(6-2)30-29(44)33-19-10-9-13-35(27(19)41)22(16-23(36)34-11-7-8-12-34)26(40)31-20(15-24(37)38)25(39)32-21(28(42)43)14-17(3)4/h17-22H,5-16H2,1-4H3,(H,31,40)(H,32,39)(H,37,38)(H,42,43)(H2,30,33,44)/t19?,20-,21-,22-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 240n/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