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SMILES: OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccc(Cl)cc12

InChI Key: InChIKey=HTKRUXWKMYQBSI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006458   
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 B1


(Homo sapiens (Human))		BDBM50006458
PNG
(CHEMBL68705 | [5-Chloro-1-(5-trifluoromethyl-benzo...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H11ClF3N3O2S/c19-10-2-3-14-11(6-10)12(7-17(26)27)24-25(14)8-16-23-13-5-9(18(20,21)22)1-4-15(13)28-16/h1-6H,7-8H2,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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PubMed
n/an/a 35n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 2155-62 (1992)


BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair