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BDBM50003786 8-(4-Chloro-benzenesulfonylamino)-4-(2-imidazol-1-yl-ethyl)-octanoic acid::CHEMBL136918

SMILES: OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCn1ccnc1

InChI Key: InChIKey=NTOVDNVGWCTIPQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50003786   
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))
BDBM50003786
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(2-imidazol-1-...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCn1ccnc1
Show InChI InChI=1S/C19H26ClN3O4S/c20-17-5-7-18(8-6-17)28(26,27)22-11-2-1-3-16(4-9-19(24)25)10-13-23-14-12-21-15-23/h5-8,12,14-16,22H,1-4,9-11,13H2,(H,24,25)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/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