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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RRM1/RRM2 holoenzyme' and Ligand = 'BDBM50053970'   
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))
BDBM50053970
PNG
((S)-N-(3,3-Dimethyl-butyl)-3-((S)-2-{(S)-2-[3-(1-e...)
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)NCCC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C30H54N6O7/c1-9-19(10-2)32-28(43)35-24(30(6,7)8)27(42)34-20(17-22(37)36-15-11-12-16-36)26(41)33-21(18-23(38)39)25(40)31-14-13-29(3,4)5/h19-21,24H,9-18H2,1-8H3,(H,31,40)(H,33,41)(H,34,42)(H,38,39)(H2,32,35,43)/t20-,21-,24+/m0/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 100n/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