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BDBM50003759 8-(4-Chloro-benzenesulfonylamino)-7-pyridin-3-yl-octanoic acid::8-(4-Chloro-benzenesulfonylamino)-7-pyridin-3-yl-octanoic acid; hydrochloride::8-(4-Chloro-benzenesulfonylamino)-7-pyridin-3-yl-octanoic acid; hydrochloride;hydrate::CHEMBL138325::CHEMBL544377

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

InChI Key: InChIKey=SHYBZZCSPUTWDK-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50003759   
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))
BDBM50003759
PNG
(8-(4-Chloro-benzenesulfonylamino)-7-pyridin-3-yl-o...)
Show SMILES OC(=O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C19H23ClN2O4S/c20-17-8-10-18(11-9-17)27(25,26)22-14-16(15-6-4-12-21-13-15)5-2-1-3-7-19(23)24/h4,6,8-13,16,22H,1-3,5,7,14H2,(H,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003759
PNG
(8-(4-Chloro-benzenesulfonylamino)-7-pyridin-3-yl-o...)
Show SMILES OC(=O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C19H23ClN2O4S/c20-17-8-10-18(11-9-17)27(25,26)22-14-16(15-6-4-12-21-13-15)5-2-1-3-7-19(23)24/h4,6,8-13,16,22H,1-3,5,7,14H2,(H,23,24)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair