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2 similar compounds to monomer 50003795

Compile data set for download or QSAR
Wt: 367.3
BDBM50053756
Wt: 367.3
BDBM50053757

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50053756,50053757   
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))
BDBM50053756
PNG
(5-[1-Pyrimidin-5-yl-1-(3-trifluoromethyl-phenyl)-m...)
Show SMILES OC(=O)CCCCO\N=C(\c1cccc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)14-5-3-4-12(8-14)16(13-9-21-11-22-10-13)23-26-7-2-1-6-15(24)25/h3-5,8-11H,1-2,6-7H2,(H,24,25)/b23-16-
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
TXA2 synthetase inhibition measured by the inhibition of TXB2 formation by human gel-filtered platelets incubated with [14C]-arachidonic acid


J Med Chem 39: 4058-64 (1996)


Article DOI: 10.1021/jm960341g
BindingDB Entry DOI: 10.7270/Q2ZP456G
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50053756
PNG
(5-[1-Pyrimidin-5-yl-1-(3-trifluoromethyl-phenyl)-m...)
Show SMILES OC(=O)CCCCO\N=C(\c1cccc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)14-5-3-4-12(8-14)16(13-9-21-11-22-10-13)23-26-7-2-1-6-15(24)25/h3-5,8-11H,1-2,6-7H2,(H,24,25)/b23-16-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
TXA2 receptor antagonism, measured by the displacement of [3H]SQ29,548 from the PGH-2/TXA-2 receptor on human platelets


J Med Chem 39: 4058-64 (1996)


Article DOI: 10.1021/jm960341g
BindingDB Entry DOI: 10.7270/Q2ZP456G
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50053757
PNG
(5-[1-Pyrimidin-5-yl-1-(3-trifluoromethyl-phenyl)-m...)
Show SMILES OC(=O)CCCCO\N=C(/c1cccc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)14-5-3-4-12(8-14)16(13-9-21-11-22-10-13)23-26-7-2-1-6-15(24)25/h3-5,8-11H,1-2,6-7H2,(H,24,25)/b23-16+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
TXA2 synthetase inhibition measured by the inhibition of TXB2 formation by human gel-filtered platelets incubated with [14C]-arachidonic acid


J Med Chem 39: 4058-64 (1996)


Article DOI: 10.1021/jm960341g
BindingDB Entry DOI: 10.7270/Q2ZP456G
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50053757
PNG
(5-[1-Pyrimidin-5-yl-1-(3-trifluoromethyl-phenyl)-m...)
Show SMILES OC(=O)CCCCO\N=C(/c1cccc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)14-5-3-4-12(8-14)16(13-9-21-11-22-10-13)23-26-7-2-1-6-15(24)25/h3-5,8-11H,1-2,6-7H2,(H,24,25)/b23-16+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
TXA2 receptor antagonism, measured by the displacement of [3H]SQ29,548 from the PGH-2/TXA-2 receptor on human platelets


J Med Chem 39: 4058-64 (1996)


Article DOI: 10.1021/jm960341g
BindingDB Entry DOI: 10.7270/Q2ZP456G
More data for this
Ligand-Target Pair