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SMILES: OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Br)cc12

InChI Key: InChIKey=BVDGRMGFKFZCLQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50009776   
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))		BDBM50009776
PNG
((3-Benzothiazol-2-ylmethyl-7-bromo-4-oxo-3,4-dihyd...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Br)cc12
Show InChI InChI=1S/C18H12BrN3O3S/c19-10-5-6-11-12(7-10)14(8-17(23)24)21-22(18(11)25)9-16-20-13-3-1-2-4-15(13)26-16/h1-7H,8-9H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair