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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH]' and Ligand = 'BDBM50537365'   
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
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50537365
PNG
(CHEMBL4579264)
Show SMILES COc1ccc(cc1)C(=O)CN1C(=S)S\C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C22H21NO6S2/c1-26-15-7-5-14(6-8-15)16(24)12-23-21(25)19(31-22(23)30)11-13-9-17(27-2)20(29-4)18(10-13)28-3/h5-11H,12H2,1-4H3/b19-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.55E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis InhA expressed in Escherichia coli Rosette(DE3) pLysS using trans-2-decenoyl-N-acetylcysteamine ...

Bioorg Med Chem 27: 1509-1516 (2019)


Article DOI: 10.1016/j.bmc.2019.02.043
BindingDB Entry DOI: 10.7270/Q22J6GD6
More data for this
Ligand-Target Pair