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BDBM50003768 6-(4-Chloro-benzenesulfonylamino)-5-pyridin-3-yl-hexanoic acid; hydrochloride;0.5hydrate::CHEMBL544845

SMILES: OC(=O)CCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1

InChI Key: InChIKey=JUDLSYDCHAYGRJ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50003768   
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003768
PNG
(6-(4-Chloro-benzenesulfonylamino)-5-pyridin-3-yl-h...)
Show SMILES OC(=O)CCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C17H19ClN2O4S/c18-15-6-8-16(9-7-15)25(23,24)20-12-14(3-1-5-17(21)22)13-4-2-10-19-11-13/h2,4,6-11,14,20H,1,3,5,12H2,(H,21,22)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair