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BDBM50396744 CHEMBL2172257

SMILES: O=C(CSc1ncnc2nc[nH]c12)Nc1ccccn1

InChI Key: InChIKey=YGBWQYJJFMGTDY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50396744   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50396744
PNG
(CHEMBL2172257)
Show SMILES O=C(CSc1ncnc2nc[nH]c12)Nc1ccccn1
Show InChI InChI=1S/C12H10N6OS/c19-9(18-8-3-1-2-4-13-8)5-20-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,13,18,19)(H,14,15,16,17)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.90E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation by spectrophotometry


J Med Chem 55: 7417-24 (2012)

More data for this
Ligand-Target Pair