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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor corepressor 1' and Ligand = 'BDBM50377385'   
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
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50377385
PNG
(AZUMAMIDE A)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:11.10|
Show InChI InChI=1S/C27H39N5O5/c1-16(2)23-27(37)29-18(4)25(35)31-21(15-19-11-7-5-8-12-19)26(36)30-20(17(3)24(34)32-23)13-9-6-10-14-22(28)33/h5-9,11-12,16-18,20-21,23H,10,13-15H2,1-4H3,(H2,28,33)(H,29,37)(H,30,36)(H,31,35)(H,32,34)/t17-,18+,20+,21+,23+/m0/s1
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Similars
Article
PubMed
 3.20E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins

J Med Chem 56: 6512-20 (2013)


Article DOI: 10.1021/jm4008449
BindingDB Entry DOI: 10.7270/Q27S7Q6R
More data for this
Ligand-Target Pair