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PubMed code 1311763

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50000308
PNG
(6-(Imidazol-1-yl-phenyl-methyl)-3,4-dihydro-1H-qui...)
Show SMILES O=C1CCc2cc(ccc2N1)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C19H17N3O/c23-18-9-7-15-12-16(6-8-17(15)21-18)19(22-11-10-20-13-22)14-4-2-1-3-5-14/h1-6,8,10-13,19H,7,9H2,(H,21,23)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 350n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human blood platelet,thromboxane A2 synthase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50000318
PNG
(6-(2-Imidazol-1-yl-vinyl)-1H-quinolin-2-one | CHEM...)
Show SMILES O=c1ccc2cc(\C=C\n3ccnc3)ccc2[nH]1
Show InChI InChI=1S/C14H11N3O/c18-14-4-2-12-9-11(1-3-13(12)16-14)5-7-17-8-6-15-10-17/h1-10H,(H,16,18)/b7-5+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 380n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human blood platelet,thromboxane A2 synthase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50000306
PNG
(6-Pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one | 6-P...)
Show SMILES O=C1CCc2cc(ccc2N1)-c1cccnc1
Show InChI InChI=1S/C14H12N2O/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 540n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human blood platelet,thromboxane A2 synthase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50000310
PNG
(6-(2-Imidazol-1-yl-vinyl)-3,4-dihydro-1H-quinolin-...)
Show SMILES O=C1CCc2cc(\C=C\n3ccnc3)ccc2N1
Show InChI InChI=1S/C14H13N3O/c18-14-4-2-12-9-11(1-3-13(12)16-14)5-7-17-8-6-15-10-17/h1,3,5-10H,2,4H2,(H,16,18)/b7-5+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human blood platelet thromboxane A2 synthase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50000309
PNG
(6-Imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one | CH...)
Show SMILES O=C1CCc2cc(ccc2N1)-n1ccnc1
Show InChI InChI=1S/C12H11N3O/c16-12-4-1-9-7-10(2-3-11(9)14-12)15-6-5-13-8-15/h2-3,5-8H,1,4H2,(H,14,16)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human blood platelet,thromboxane A2 synthase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50000328
PNG
(6-(1-Imidazol-1-ylmethyl-hexyl)-3,4-dihydro-1H-qui...)
Show SMILES CCCCCC(Cn1ccnc1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C19H25N3O/c1-2-3-4-5-17(13-22-11-10-20-14-22)15-6-8-18-16(12-15)7-9-19(23)21-18/h6,8,10-12,14,17H,2-5,7,9,13H2,1H3,(H,21,23)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human blood platelet thromboxane A2 synthase


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%