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22 molecules are shown

Compile data set for download or QSAR
Wt: 467.0
BDBM50003799
Wt: 468.6
BDBM50003803
Wt: 438.9
BDBM50003804
Wt: 452.9
BDBM50046309
Wt: 452.9
BDBM50046311
Wt: 424.9
BDBM50280259
Wt: 438.9
BDBM50280260
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50003799,50003803,50003804,50046309,50046311,50280259,50280260   
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))
BDBM50003799
PNG
(8-(4-Chloro-benzenesulfonylamino)-2-methyl-4-(3-py...)
Show SMILES CC(CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1)C(O)=O
Show InChI InChI=1S/C23H31ClN2O4S/c1-18(23(27)28)16-19(7-4-8-20-9-5-14-25-17-20)6-2-3-15-26-31(29,30)22-12-10-21(24)11-13-22/h5,9-14,17-19,26H,2-4,6-8,15-16H2,1H3,(H,27,28)
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


Article DOI: 10.1021/jm00101a015
BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003803
PNG
(8-(Naphthalene-2-sulfonylamino)-4-(3-pyridin-3-yl-...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCc1cccnc1
Show InChI InChI=1S/C26H32N2O4S/c29-26(30)16-13-21(8-5-9-22-10-6-17-27-20-22)7-3-4-18-28-33(31,32)25-15-14-23-11-1-2-12-24(23)19-25/h1-2,6,10-12,14-15,17,19-21,28H,3-5,7-9,13,16,18H2,(H,29,30)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase


J Med Chem 35: 4373-83 (1992)


Article DOI: 10.1021/jm00101a015
BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003804
PNG
(7-(4-Chloro-benzenesulfonylamino)-3-(3-pyridin-3-y...)
Show SMILES OC(=O)CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C21H27ClN2O4S/c22-19-9-11-20(12-10-19)29(27,28)24-14-2-1-5-17(15-21(25)26)6-3-7-18-8-4-13-23-16-18/h4,8-13,16-17,24H,1-3,5-7,14-15H2,(H,25,26)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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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 A2 synthase


J Med Chem 35: 4373-83 (1992)


Article DOI: 10.1021/jm00101a015
BindingDB Entry DOI: 10.7270/Q2F47N3W
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50280260
PNG
(7-{4-[3-(4-Chloro-benzenesulfonylamino)-propyl]-py...)
Show SMILES OC(=O)CCCCCCc1cnccc1CCCNS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H27ClN2O4S/c22-19-9-11-20(12-10-19)29(27,28)24-14-5-7-17-13-15-23-16-18(17)6-3-1-2-4-8-21(25)26/h9-13,15-16,24H,1-8,14H2,(H,25,26)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against thromboxane synthase enzyme


Bioorg Med Chem Lett 2: 1619-1622 (1992)


Article DOI: 10.1016/S0960-894X(00)80442-4
BindingDB Entry DOI: 10.7270/Q2BC3ZF2
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50046311
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CC[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)/t18-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.5n/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))
BDBM50280259
PNG
(6-{4-[3-(4-Chloro-benzenesulfonylamino)-propyl]-py...)
Show SMILES OC(=O)CCCCCc1cnccc1CCCNS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN2O4S/c21-18-8-10-19(11-9-18)28(26,27)23-13-4-6-16-12-14-22-15-17(16)5-2-1-3-7-20(24)25/h8-12,14-15,23H,1-7,13H2,(H,24,25)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against thromboxane synthase enzyme


Bioorg Med Chem Lett 2: 1619-1622 (1992)


Article DOI: 10.1016/S0960-894X(00)80442-4
BindingDB Entry DOI: 10.7270/Q2BC3ZF2
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50046309
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CC[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)/t18-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 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