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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C2' and Ligand = 'BDBM50124575'   
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
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50124575
PNG
(CHEMBL3623735)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)13(20)21/h1-8,19H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 (unknown origin) using S-tetralol as substrate


Citation and Details
More data for this
Ligand-Target Pair