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2 similar compounds to monomer 50003797

Compile data set for download or QSAR
Wt: 454.9
BDBM50046310
Wt: 454.9
BDBM50046312

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50046310,50046312   
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))
BDBM50046312
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-[2-(pyridin-3-...)
Show SMILES OC(=O)CC[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1
Show InChI InChI=1S/C21H27ClN2O5S/c22-18-7-9-20(10-8-18)30(27,28)24-14-2-1-4-17(6-11-21(25)26)12-15-29-19-5-3-13-23-16-19/h3,5,7-10,13,16-17,24H,1-2,4,6,11-12,14-15H2,(H,25,26)/t17-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthasase in microsomal platelet preparation


J Med Chem 36: 205-10 (1993)


Article DOI: 10.1021/jm00054a003
BindingDB Entry DOI: 10.7270/Q2XS5TFK
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50046310
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-[2-(pyridin-3-...)
Show SMILES OC(=O)CC[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1
Show InChI InChI=1S/C21H27ClN2O5S/c22-18-7-9-20(10-8-18)30(27,28)24-14-2-1-4-17(6-11-21(25)26)12-15-29-19-5-3-13-23-16-19/h3,5,7-10,13,16-17,24H,1-2,4,6,11-12,14-15H2,(H,25,26)/t17-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthasase in microsomal platelet preparation


J Med Chem 36: 205-10 (1993)


Article DOI: 10.1021/jm00054a003
BindingDB Entry DOI: 10.7270/Q2XS5TFK
More data for this
Ligand-Target Pair