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BDBM50003787 4-Chloro-N-{8-pyridin-3-yl-5-[2-(5H-tetrazol-5-yl)-ethyl]-octyl}-benzenesulfonamide::CHEMBL138743

SMILES: Clc1ccc(cc1)S(=O)(=O)NCCCCC(CCCc1cccnc1)CCc1nnn[nH]1

InChI Key: InChIKey=KUJFJCSQRRNENV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50003787   
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))
BDBM50003787
PNG
(4-Chloro-N-{8-pyridin-3-yl-5-[2-(5H-tetrazol-5-yl)...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCCCC(CCCc1cccnc1)CCc1nnn[nH]1
Show InChI InChI=1S/C22H29ClN6O2S/c23-20-10-12-21(13-11-20)32(30,31)25-16-2-1-5-18(9-14-22-26-28-29-27-22)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


Article DOI: 10.1021/jm00101a015
BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair