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26 similar compounds to monomer 50003768

Compile data set for download or QSAR
Wt: 424.9
BDBM50003757
Wt: 376.4
BDBM50003758
Wt: 410.9
BDBM50003759
Wt: 445.3
BDBM50003760
Wt: 390.4
BDBM50003762
Wt: 502.6
BDBM50003763
Wt: 396.8
BDBM50003765
Wt: 424.9
BDBM50003767
Wt: 390.4
BDBM50003770
Wt: 390.4
BDBM50003771
Wt: 438.9
BDBM50003773
Wt: 467.0
BDBM50003775
Wt: 452.9
BDBM50003776
Wt: 481.0
BDBM50003777
Wt: 424.9
BDBM50003779
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50003757,50003758,50003759,50003760,50003762,50003763,50003765,50003767,50003770,50003771,50003773,50003775,50003776,50003777,50003779   
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))
BDBM50003773
PNG
(8-(4-Chloro-benzenesulfonylamino)-5-(2-pyridin-3-y...)
Show SMILES OC(=O)CCCC(CCCNS(=O)(=O)c1ccc(Cl)cc1)CCc1cccnc1
Show InChI InChI=1S/C21H27ClN2O4S/c22-19-10-12-20(13-11-19)29(27,28)24-15-3-5-17(4-1-7-21(25)26)8-9-18-6-2-14-23-16-18/h2,6,10-14,16-17,24H,1,3-5,7-9,15H2,(H,25,26)
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n/an/a 20n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50003758
PNG
(8-Benzenesulfonylamino-7-pyridin-3-yl-octanoic aci...)
Show SMILES OC(=O)CCCCCC(CNS(=O)(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C19H24N2O4S/c22-19(23)12-6-1-3-8-17(16-9-7-13-20-14-16)15-21-26(24,25)18-10-4-2-5-11-18/h2,4-5,7,9-11,13-14,17,21H,1,3,6,8,12,15H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003759
PNG
(8-(4-Chloro-benzenesulfonylamino)-7-pyridin-3-yl-o...)
Show SMILES OC(=O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C19H23ClN2O4S/c20-17-8-10-18(11-9-17)27(25,26)22-14-16(15-6-4-12-21-13-15)5-2-1-3-7-19(23)24/h4,6,8-13,16,22H,1-3,5,7,14H2,(H,23,24)
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n/an/a 220n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003779
PNG
(8-(4-Chloro-benzenesulfonylamino)-6-pyridin-3-ylme...)
Show SMILES OC(=O)CCCCC(CCNS(=O)(=O)c1ccc(Cl)cc1)Cc1cccnc1
Show InChI InChI=1S/C20H25ClN2O4S/c21-18-7-9-19(10-8-18)28(26,27)23-13-11-16(4-1-2-6-20(24)25)14-17-5-3-12-22-15-17/h3,5,7-10,12,15-16,23H,1-2,4,6,11,13-14H2,(H,24,25)
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n/an/a 14n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003777
PNG
(8-(4-Chloro-benzenesulfonylamino)-2-(5-pyridin-3-y...)
Show SMILES OC(=O)C(CCCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCCc1cccnc1
Show InChI InChI=1S/C24H33ClN2O4S/c25-22-13-15-23(16-14-22)32(30,31)27-18-7-2-1-5-11-21(24(28)29)12-6-3-4-9-20-10-8-17-26-19-20/h8,10,13-17,19,21,27H,1-7,9,11-12,18H2,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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n/an/a 20n/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))
BDBM50003758
PNG
(8-Benzenesulfonylamino-7-pyridin-3-yl-octanoic aci...)
Show SMILES OC(=O)CCCCCC(CNS(=O)(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C19H24N2O4S/c22-19(23)12-6-1-3-8-17(16-9-7-13-20-14-16)15-21-26(24,25)18-10-4-2-5-11-18/h2,4-5,7,9-11,13-14,17,21H,1,3,6,8,12,15H2,(H,22,23)
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n/an/a 210n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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n/an/a 6n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


Article DOI: 10.1021/jm00027a004
BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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n/an/a 4n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


Article DOI: 10.1021/jm00027a004
BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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n/an/a 6n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets.


J Med Chem 37: 26-39 (1994)


Article DOI: 10.1021/jm00027a004
BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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n/an/a 2n/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))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase


Bioorg Med Chem Lett 4: 2067-2072 (1994)


Article DOI: 10.1016/S0960-894X(01)80103-7
BindingDB Entry DOI: 10.7270/Q2GX4BG6
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets


Bioorg Med Chem Lett 4: 2067-2072 (1994)


Article DOI: 10.1016/S0960-894X(01)80103-7
BindingDB Entry DOI: 10.7270/Q2GX4BG6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against thromboxane synthase


Bioorg Med Chem Lett 4: 2073-2076 (1994)


Article DOI: 10.1016/S0960-894X(01)80104-9
BindingDB Entry DOI: 10.7270/Q2C53KS7
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(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)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets


Bioorg Med Chem Lett 4: 2073-2076 (1994)


Article DOI: 10.1016/S0960-894X(01)80104-9
BindingDB Entry DOI: 10.7270/Q2C53KS7
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003757
PNG
(9-(4-Chloro-benzenesulfonylamino)-8-pyridin-3-yl-n...)
Show SMILES OC(=O)CCCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C20H25ClN2O4S/c21-18-9-11-19(12-10-18)28(26,27)23-15-17(16-7-5-13-22-14-16)6-3-1-2-4-8-20(24)25/h5,7,9-14,17,23H,1-4,6,8,15H2,(H,24,25)
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n/an/a 240n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003760
PNG
(8-(3,4-Dichloro-benzenesulfonylamino)-7-pyridin-3-...)
Show SMILES OC(=O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccnc1
Show InChI InChI=1S/C19H22Cl2N2O4S/c20-17-9-8-16(11-18(17)21)28(26,27)23-13-15(14-6-4-10-22-12-14)5-2-1-3-7-19(24)25/h4,6,8-12,15,23H,1-3,5,7,13H2,(H,24,25)
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n/an/a 40n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003762
PNG
(7-Pyridin-3-yl-8-(toluene-2-sulfonylamino)-octanoi...)
Show SMILES Cc1ccccc1S(=O)(=O)NCC(CCCCCC(O)=O)c1cccnc1
Show InChI InChI=1S/C20H26N2O4S/c1-16-8-5-6-11-19(16)27(25,26)22-15-18(17-10-7-13-21-14-17)9-3-2-4-12-20(23)24/h5-8,10-11,13-14,18,22H,2-4,9,12,15H2,1H3,(H,23,24)
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n/an/a 200n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003763
PNG
(8-(4-Naphthalen-2-yl-benzenesulfonylamino)-7-pyrid...)
Show SMILES OC(=O)CCCCCC(CNS(=O)(=O)c1ccc(cc1)-c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C29H30N2O4S/c32-29(33)11-3-1-2-9-27(26-10-6-18-30-20-26)21-31-36(34,35)28-16-14-23(15-17-28)25-13-12-22-7-4-5-8-24(22)19-25/h4-8,10,12-20,27,31H,1-3,9,11,21H2,(H,32,33)
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n/an/a 65n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003765
PNG
(7-(4-Chloro-benzenesulfonylamino)-6-pyridin-3-yl-h...)
Show SMILES OC(=O)CCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C18H21ClN2O4S/c19-16-7-9-17(10-8-16)26(24,25)21-13-15(4-1-2-6-18(22)23)14-5-3-11-20-12-14/h3,5,7-12,15,21H,1-2,4,6,13H2,(H,22,23)
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n/an/a 77n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003767
PNG
(8-[(4-Chloro-benzenesulfonyl)-methyl-amino]-7-pyri...)
Show SMILES CN(CC(CCCCCC(O)=O)c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN2O4S/c1-23(28(26,27)19-11-9-18(21)10-12-19)15-17(16-7-5-13-22-14-16)6-3-2-4-8-20(24)25/h5,7,9-14,17H,2-4,6,8,15H2,1H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003770
PNG
(8-Benzenesulfonylamino-7-pyridin-3-yl-octanoic aci...)
Show SMILES COC(=O)CCCCCC(CNS(=O)(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C20H26N2O4S/c1-26-20(23)13-7-2-4-9-18(17-10-8-14-21-15-17)16-22-27(24,25)19-11-5-3-6-12-19/h3,5-6,8,10-12,14-15,18,22H,2,4,7,9,13,16H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003759
PNG
(8-(4-Chloro-benzenesulfonylamino)-7-pyridin-3-yl-o...)
Show SMILES OC(=O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C19H23ClN2O4S/c20-17-8-10-18(11-9-17)27(25,26)22-14-16(15-6-4-12-21-13-15)5-2-1-3-7-19(23)24/h4,6,8-13,16,22H,1-3,5,7,14H2,(H,23,24)
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n/an/a 220n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003771
PNG
(7-Pyridin-3-yl-8-(toluene-4-sulfonylamino)-octanoi...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(CCCCCC(O)=O)c1cccnc1
Show InChI InChI=1S/C20H26N2O4S/c1-16-9-11-19(12-10-16)27(25,26)22-15-18(17-7-5-13-21-14-17)6-3-2-4-8-20(23)24/h5,7,9-14,18,22H,2-4,6,8,15H2,1H3,(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human Thromboxane A2 synthase


J Med Chem 35: 4362-5 (1992)


Article DOI: 10.1021/jm00101a013
BindingDB Entry DOI: 10.7270/Q2513ZT0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003775
PNG
(8-(4-Chloro-benzenesulfonylamino)-3-(4-pyridin-3-y...)
Show SMILES OC(=O)CC(CCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCc1cccnc1
Show InChI InChI=1S/C23H31ClN2O4S/c24-21-11-13-22(14-12-21)31(29,30)26-16-5-1-2-7-19(17-23(27)28)8-3-4-9-20-10-6-15-25-18-20/h6,10-15,18-19,26H,1-5,7-9,16-17H2,(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair