new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RRM1/RRM2 holoenzyme' and Ligand = 'BDBM50053962'   
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
RRM1/RRM2 holoenzyme


(Homo sapiens (Human))
BDBM50053962
PNG
((S)-N-((R)-1-Ethyl-2,2-dimethyl-propyl)-3-((S)-2-{...)
Show SMILES CCC(CC)NC(=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)C)C(C)(C)C
Show InChI InChI=1S/C31H56N6O7/c1-10-19(11-2)32-29(44)36-25(31(7,8)9)28(43)34-20(17-23(38)37-15-13-14-16-37)26(41)33-21(18-24(39)40)27(42)35-22(12-3)30(4,5)6/h19-22,25H,10-18H2,1-9H3,(H,33,41)(H,34,43)(H,35,42)(H,39,40)(H2,32,36,44)/t20-,21-,22+,25+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair