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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 = 'BDBM50369049'   
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))
BDBM50369049
PNG
(CHEMBL1790855)
Show SMILES CC[C@H](C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C(C)C)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(O)=O
Show InChI InChI=1S/C38H58N6O10/c1-7-24(6)33(42-29(45)16-15-25-13-9-8-10-14-25)37(52)43-32(23(4)5)36(51)40-26(20-30(46)44-17-11-12-18-44)34(49)39-27(21-31(47)48)35(50)41-28(38(53)54)19-22(2)3/h8-10,13-14,22-24,26-28,32-33H,7,11-12,15-21H2,1-6H3,(H,39,49)(H,40,51)(H,41,50)(H,42,45)(H,43,52)(H,47,48)(H,53,54)/t24-,26-,27-,28-,32-,33-/m0/s1
PDB
MMDB

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n/an/a 61n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase


J Med Chem 38: 3617-23 (1995)


BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair