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BDBM50008436 CHEMBL141013::{3-[(2-Bromo-5-trifluoromethyl-phenylthiocarbamoyl)-methyl]-4-oxo-3,4-dihydro-phthalazin-1-yl}-acetic acid

SMILES: OC(=O)Cc1nn(CC(=S)Nc2cc(ccc2Br)C(F)(F)F)c(=O)c2ccccc12

InChI Key: InChIKey=NWZJXNAKOKFTDF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008436   
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))		BDBM50008436
PNG
(CHEMBL141013 | {3-[(2-Bromo-5-trifluoromethyl-phen...)
Show SMILES OC(=O)Cc1nn(CC(=S)Nc2cc(ccc2Br)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13BrF3N3O3S/c20-13-6-5-10(19(21,22)23)7-15(13)24-16(30)9-26-18(29)12-4-2-1-3-11(12)14(25-26)8-17(27)28/h1-7H,8-9H2,(H,24,30)(H,27,28)
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PubMed
n/an/a 200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair