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8 similar compounds to monomer 50008797

Compile data set for download or QSAR
Wt: 301.4
BDBM50008795
Wt: 313.4
BDBM50008796
Wt: 301.4
BDBM50008798
Wt: 299.4
BDBM50008800
Wt: 299.4
BDBM50008801
Wt: 221.2
BDBM50028773
Wt: 193.2
BDBM50028754
Wt: 207.2
BDBM50028755

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50008795,50008796,50008798,50008800,50008801,50028773,50028754,50028755   
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))
BDBM50008795
PNG
(7-(3-Pyridin-3-yl-bicyclo[2.2.1]hept-2-yl)-heptano...)
Show SMILES OC(=O)CCCCCC[C@@H]1C2CCC(C2)C1c1cccnc1
Show InChI InChI=1S/C19H27NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h5-6,11,13-15,17,19H,1-4,7-10,12H2,(H,21,22)/t14?,15?,17-,19?/m1/s1
KEGG

UniProtKB/SwissProt

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PC sid
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PubMed
n/an/a 125n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase using [14C]-arachidonic acid


J Med Chem 34: 1790-7 (1991)


Article DOI: 10.1021/jm00110a006
BindingDB Entry DOI: 10.7270/Q2BR8R47
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50008801
PNG
(7-(3-Pyridin-3-yl-bicyclo[2.2.1]hept-2-yl)-hept-5-...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1C2CCC(C2)C1c1cccnc1
Show InChI InChI=1S/C19H25NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h1,3,5-6,11,13-15,17,19H,2,4,7-10,12H2,(H,21,22)/b3-1-/t14?,15?,17-,19?/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 54n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase using [14C]-arachidonic acid


J Med Chem 34: 1790-7 (1991)


Article DOI: 10.1021/jm00110a006
BindingDB Entry DOI: 10.7270/Q2BR8R47
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50008800
PNG
(7-(3-Pyridin-3-yl-bicyclo[2.2.1]hept-2-yl)-hept-5-...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1C2CCC(C2)[C@@H]1c1cccnc1
Show InChI InChI=1S/C19H25NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h1,3,5-6,11,13-15,17,19H,2,4,7-10,12H2,(H,21,22)/b3-1-/t14?,15?,17-,19-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase using [14C]-arachidonic acid


J Med Chem 34: 1790-7 (1991)


Article DOI: 10.1021/jm00110a006
BindingDB Entry DOI: 10.7270/Q2BR8R47
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50028773
PNG
(8-Pyridin-3-yl-octanoic acid; hydrochloride | CHEM...)
Show SMILES OC(=O)CCCCCCCc1cccnc1
Show InChI InChI=1S/C13H19NO2/c15-13(16)9-5-3-1-2-4-7-12-8-6-10-14-11-12/h6,8,10-11H,1-5,7,9H2,(H,15,16)
KEGG

UniProtKB/SwissProt

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n/an/a 76n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50008798
PNG
(7-(3-Pyridin-3-yl-bicyclo[2.2.1]hept-2-yl)-heptano...)
Show SMILES OC(=O)CCCCCC[C@H]1C2CCC(C2)[C@H]1c1cccnc1
Show InChI InChI=1S/C19H27NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h5-6,11,13-15,17,19H,1-4,7-10,12H2,(H,21,22)/t14?,15?,17-,19-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase using [14C]-arachidonic acid


J Med Chem 34: 1790-7 (1991)


Article DOI: 10.1021/jm00110a006
BindingDB Entry DOI: 10.7270/Q2BR8R47
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50028754
PNG
(6-Pyridin-3-yl-hexanoic acid; hydrochloride | CHEM...)
Show SMILES OC(=O)CCCCCc1cccnc1
Show InChI InChI=1S/C11H15NO2/c13-11(14)7-3-1-2-5-10-6-4-8-12-9-10/h4,6,8-9H,1-3,5,7H2,(H,13,14)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 86n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50028755
PNG
(7-Pyridin-3-yl-heptanoic acid; hydrochloride | CHE...)
Show SMILES OC(=O)CCCCCCc1cccnc1
Show InChI InChI=1S/C12H17NO2/c14-12(15)8-4-2-1-3-6-11-7-5-9-13-10-11/h5,7,9-10H,1-4,6,8H2,(H,14,15)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


J Med Chem 24: 1149-55 (1982)


Article DOI: 10.1021/jm00142a006
BindingDB Entry DOI: 10.7270/Q2FT8MMG
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50008796
PNG
(8-(3-Pyridin-3-yl-bicyclo[2.2.1]hept-2-yl)-oct-6-e...)
Show SMILES OC(=O)CCCC\C=C/C[C@@H]1C2CCC(C2)C1c1cccnc1
Show InChI InChI=1S/C20H27NO2/c22-19(23)9-5-3-1-2-4-8-18-15-10-11-16(13-15)20(18)17-7-6-12-21-14-17/h2,4,6-7,12,14-16,18,20H,1,3,5,8-11,13H2,(H,22,23)/b4-2-/t15?,16?,18-,20?/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 165n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of Thromboxane synthase using [14C]-arachidonic acid as radioligand


J Med Chem 34: 1790-7 (1991)


Article DOI: 10.1021/jm00110a006
BindingDB Entry DOI: 10.7270/Q2BR8R47
More data for this
Ligand-Target Pair