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Compile Data Set for Download or QSAR

Found 237 hits from Dr. Karl Thomae GmbH   
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))
BDBM50043839
PNG
((E)-6-[2-(4-Fluoro-benzenesulfonylamino)-indan-5-y...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H25FN2O4S/c27-22-9-11-24(12-10-22)34(32,33)29-23-15-18-7-8-19(14-21(18)16-23)25(5-1-2-6-26(30)31)20-4-3-13-28-17-20/h3-5,7-14,17,23,29H,1-2,6,15-16H2,(H,30,31)/b25-5+
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n/an/a 1n/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))
BDBM50043826
PNG
(6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phe...)
Show SMILES OC(=O)CCCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H27ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-4,7-14,16,18,24,28H,1-2,5-6,15,17H2,(H,29,30)
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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
Angiotensin II AT1B


(RAT)
BDBM50043244
PNG
(4'-(1-Methyl-2'-propyl-1H-[2,5']bibenzoimidazolyl-...)
Show SMILES CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C32H28N4O2/c1-3-8-30-33-27-18-17-23(31-34-26-11-6-7-12-28(26)35(31)2)19-29(27)36(30)20-21-13-15-22(16-14-21)24-9-4-5-10-25(24)32(37)38/h4-7,9-19H,3,8,20H2,1-2H3,(H,37,38)
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Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043260
PNG
(2-Butyl-6-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-y...)
Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C29H31N7O2S/c1-2-3-10-28-30-26-16-15-23(36-17-6-7-18-39(36,37)38)19-27(26)35(28)20-21-11-13-22(14-12-21)24-8-4-5-9-25(24)29-31-33-34-32-29/h4-5,8-9,11-16,19H,2-3,6-7,10,17-18,20H2,1H3,(H,31,32,33,34)
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Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043257
PNG
(6-Imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cn2ccccc2n1
Show InChI InChI=1S/C32H28N8/c1-3-8-30-34-31-21(2)17-24(27-20-39-16-7-6-11-29(39)33-27)18-28(31)40(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32-35-37-38-36-32/h4-7,9-18,20H,3,8,19H2,1-2H3,(H,35,36,37,38)
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Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043856
PNG
((Z)-6-{5-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]...)
Show SMILES Cn1c(CCNS(=O)(=O)c2ccc(F)cc2)ccc1\C(=C/CCCC(O)=O)c1cccnc1
Show InChI InChI=1S/C24H26FN3O4S/c1-28-20(14-16-27-33(31,32)21-11-8-19(25)9-12-21)10-13-23(28)22(6-2-3-7-24(29)30)18-5-4-15-26-17-18/h4-6,8-13,15,17,27H,2-3,7,14,16H2,1H3,(H,29,30)/b22-6-
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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))
BDBM50043847
PNG
(3-((E)-2-{4-[2-(4-Chloro-benzenesulfonylamino)-eth...)
Show SMILES OC(=O)c1cccc(\C=C(/c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)c2cccnc2)c1
Show InChI InChI=1S/C28H23ClN2O4S/c29-25-10-12-26(13-11-25)36(34,35)31-16-14-20-6-8-22(9-7-20)27(24-5-2-15-30-19-24)18-21-3-1-4-23(17-21)28(32)33/h1-13,15,17-19,31H,14,16H2,(H,32,33)/b27-18+
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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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043851
PNG
((E)-6-(4-{2-[(4-Chloro-benzenesulfonyl)-ethyl-amin...)
Show SMILES CCN(CCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H29ClN2O4S/c1-2-30(35(33,34)25-15-13-24(28)14-16-25)19-17-21-9-11-22(12-10-21)26(7-3-4-8-27(31)32)23-6-5-18-29-20-23/h5-7,9-16,18,20H,2-4,8,17,19H2,1H3,(H,31,32)/b26-7+
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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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043868
PNG
((E)-6-{4-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H25FN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+
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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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50003795
PNG
(5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...)
Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
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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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043841
PNG
((E)-6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H25ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+
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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
Angiotensin II AT1B


(RAT)
BDBM50043246
PNG
(4'-(6-Imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1cn2ccccc2n1
Show InChI InChI=1S/C32H28N4O2/c1-3-8-30-34-31-21(2)17-24(27-20-35-16-7-6-11-29(35)33-27)18-28(31)36(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32(37)38/h4-7,9-18,20H,3,8,19H2,1-2H3,(H,37,38)
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Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043277
PNG
(1-{2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...)
Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)N1CCCCC1=O
Show InChI InChI=1S/C30H31N7O/c1-2-3-10-28-31-26-17-16-23(36-18-7-6-11-29(36)38)19-27(26)37(28)20-21-12-14-22(15-13-21)24-8-4-5-9-25(24)30-32-34-35-33-30/h4-5,8-9,12-17,19H,2-3,6-7,10-11,18,20H2,1H3,(H,32,33,34,35)
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Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043827
PNG
((E)-6-(4-{2-[(4-Chloro-benzenesulfonyl)-(2-morphol...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCN(CCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C31H36ClN3O5S/c32-28-11-13-29(14-12-28)41(38,39)35(19-18-34-20-22-40-23-21-34)17-15-25-7-9-26(10-8-25)30(5-1-2-6-31(36)37)27-4-3-16-33-24-27/h3-5,7-14,16,24H,1-2,6,15,17-23H2,(H,36,37)/b30-5+
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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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043829
PNG
((E)-6-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H25ClN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-16-14-19-5-3-6-20(17-19)24(8-1-2-9-25(29)30)21-7-4-15-27-18-21/h3-8,10-13,15,17-18,28H,1-2,9,14,16H2,(H,29,30)/b24-8+
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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
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50003795
PNG
(5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...)
Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
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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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043844
PNG
((E)-6-[4-(4-Chloro-benzenesulfonylamino)-phenyl]-6...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C23H21ClN2O4S/c24-19-9-13-21(14-10-19)31(29,30)26-20-11-7-17(8-12-20)22(5-1-2-6-23(27)28)18-4-3-15-25-16-18/h3-5,7-16,26H,1-2,6H2,(H,27,28)/b22-5+
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n/an/a 5n/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))
BDBM50043858
PNG
((E)-6-[4-(2-Benzenesulfonylamino-ethyl)-phenyl]-6-...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H26N2O4S/c28-25(29)11-5-4-10-24(22-7-6-17-26-19-22)21-14-12-20(13-15-21)16-18-27-32(30,31)23-8-2-1-3-9-23/h1-3,6-10,12-15,17,19,27H,4-5,11,16,18H2,(H,28,29)/b24-10+
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n/an/a 5n/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))
BDBM50043845
PNG
((E)-6-[4-(2-Phenylmethanesulfonylamino-ethyl)-phen...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C26H28N2O4S/c29-26(30)11-5-4-10-25(24-9-6-17-27-19-24)23-14-12-21(13-15-23)16-18-28-33(31,32)20-22-7-2-1-3-8-22/h1-3,6-10,12-15,17,19,28H,4-5,11,16,18,20H2,(H,29,30)/b25-10+
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n/an/a 5n/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))
BDBM50043852
PNG
((E)-6-(4-{2-[Carbamoylmethyl-(4-chloro-benzenesulf...)
Show SMILES NC(=O)CN(CCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN3O5S/c28-23-11-13-24(14-12-23)37(35,36)31(19-26(29)32)17-15-20-7-9-21(10-8-20)25(5-1-2-6-27(33)34)22-4-3-16-30-18-22/h3-5,7-14,16,18H,1-2,6,15,17,19H2,(H2,29,32)(H,33,34)/b25-5+
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n/an/a 5n/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))
BDBM50043855
PNG
((E)-6-{4-[2-(3,4-Dimethoxy-benzenesulfonylamino)-e...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C27H30N2O6S/c1-34-25-14-13-23(18-26(25)35-2)36(32,33)29-17-15-20-9-11-21(12-10-20)24(7-3-4-8-27(30)31)22-6-5-16-28-19-22/h5-7,9-14,16,18-19,29H,3-4,8,15,17H2,1-2H3,(H,30,31)/b24-7+
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n/an/a 5n/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))
BDBM50043850
PNG
((E)-6-{4-[2-(Butane-1-sulfonylamino)-ethyl]-phenyl...)
Show SMILES CCCCS(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C23H30N2O4S/c1-2-3-17-30(28,29)25-16-14-19-10-12-20(13-11-19)22(8-4-5-9-23(26)27)21-7-6-15-24-18-21/h6-8,10-13,15,18,25H,2-5,9,14,16-17H2,1H3,(H,26,27)/b22-8+
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n/an/a 5n/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
Angiotensin II AT1B


(RAT)
BDBM50043279
PNG
(1-Methyl-2'-propyl-3'-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C32H28N8/c1-3-8-30-33-27-18-17-23(32-34-26-11-6-7-12-28(26)39(32)2)19-29(27)40(30)20-21-13-15-22(16-14-21)24-9-4-5-10-25(24)31-35-37-38-36-31/h4-7,9-19H,3,8,20H2,1-2H3,(H,35,36,37,38)
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n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043838
PNG
((E)-6-{3-[(4-Chloro-benzenesulfonylamino)-methyl]-...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H23ClN2O4S/c25-21-10-12-22(13-11-21)32(30,31)27-16-18-5-3-6-19(15-18)23(8-1-2-9-24(28)29)20-7-4-14-26-17-20/h3-8,10-15,17,27H,1-2,9,16H2,(H,28,29)/b23-8+
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n/an/a 5n/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))
BDBM50043843
PNG
((E)-6-Pyridin-3-yl-6-{4-[2-(toluene-4-sulfonylamin...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C26H28N2O4S/c1-20-8-14-24(15-9-20)33(31,32)28-18-16-21-10-12-22(13-11-21)25(6-2-3-7-26(29)30)23-5-4-17-27-19-23/h4-6,8-15,17,19,28H,2-3,7,16,18H2,1H3,(H,29,30)/b25-6+
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n/an/a 5n/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))
BDBM50043833
PNG
((E)-6-{4-[2-(4-Methoxy-benzenesulfonylamino)-ethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C26H28N2O5S/c1-33-23-12-14-24(15-13-23)34(31,32)28-18-16-20-8-10-21(11-9-20)25(6-2-3-7-26(29)30)22-5-4-17-27-19-22/h4-6,8-15,17,19,28H,2-3,7,16,18H2,1H3,(H,29,30)/b25-6+
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n/an/a 5n/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
Angiotensin II AT1B


(RAT)
BDBM50043247
PNG
(4-Methyl-2-propyl-6-pyridin-2-yl-1-[2'-(1H-tetrazo...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccn1
Show InChI InChI=1S/C30H27N7/c1-3-8-28-32-29-20(2)17-23(26-11-6-7-16-31-26)18-27(29)37(28)19-21-12-14-22(15-13-21)24-9-4-5-10-25(24)30-33-35-36-34-30/h4-7,9-18H,3,8,19H2,1-2H3,(H,33,34,35,36)
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n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043848
PNG
((E)-6-Pyridin-3-yl-6-{4-[2-(4-trifluoromethyl-benz...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C26H25F3N2O4S/c27-26(28,29)22-11-13-23(14-12-22)36(34,35)31-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(32)33)21-4-3-16-30-18-21/h3-5,7-14,16,18,31H,1-2,6,15,17H2,(H,32,33)/b24-5+
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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 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
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))
BDBM50043828
PNG
((E)-6-[3-(4-Chloro-benzenesulfonylamino)-phenyl]-6...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H21ClN2O4S/c24-19-10-12-21(13-11-19)31(29,30)26-20-7-3-5-17(15-20)22(8-1-2-9-23(27)28)18-6-4-14-25-16-18/h3-8,10-16,26H,1-2,9H2,(H,27,28)/b22-8+
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n/an/a 7n/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))
BDBM50043832
PNG
((E)-6-{4-[(4-Chloro-benzenesulfonylamino)-methyl]-...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C24H23ClN2O4S/c25-21-11-13-22(14-12-21)32(30,31)27-16-18-7-9-19(10-8-18)23(5-1-2-6-24(28)29)20-4-3-15-26-17-20/h3-5,7-15,17,27H,1-2,6,16H2,(H,28,29)/b23-5+
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n/an/a 7n/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
Muscarinic receptor M2 and M3


(RAT)
BDBM50023655
PNG
(11-[2-(1-Methyl-piperidin-2-yl)-acetyl]-5,11-dihyd...)
Show SMILES CN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C20H22N4O2/c1-23-12-5-4-7-14(23)13-18(25)24-17-10-3-2-8-15(17)20(26)22-16-9-6-11-21-19(16)24/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3,(H,22,26)
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n/an/a 8n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic receptor of gastric fundus containing Muscarinic acetylcholine receptor M2


J Med Chem 31: 1169-74 (1988)


Article DOI: 10.1021/jm00401a016
BindingDB Entry DOI: 10.7270/Q2DV1HW6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043849
PNG
((E)-6-[6-(4-Chloro-benzenesulfonylamino)-5,6,7,8-t...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1ccc2CC(CCc2c1)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN2O4S/c28-23-10-13-25(14-11-23)35(33,34)30-24-12-9-19-16-21(8-7-20(19)17-24)26(5-1-2-6-27(31)32)22-4-3-15-29-18-22/h3-5,7-8,10-11,13-16,18,24,30H,1-2,6,9,12,17H2,(H,31,32)/b26-5+
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n/an/a 8n/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
Angiotensin II AT1B


(RAT)
BDBM50043248
PNG
(3-{2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...)
Show SMILES CCCCc1nc2ccc(NC(=O)N(C)C)cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H30N8O/c1-4-5-10-26-30-24-16-15-21(29-28(37)35(2)3)17-25(24)36(26)18-19-11-13-20(14-12-19)22-8-6-7-9-23(22)27-31-33-34-32-27/h6-9,11-17H,4-5,10,18H2,1-3H3,(H,29,37)(H,31,32,33,34)
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n/an/a 8n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50043839
PNG
((E)-6-[2-(4-Fluoro-benzenesulfonylamino)-indan-5-y...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H25FN2O4S/c27-22-9-11-24(12-10-22)34(32,33)29-23-15-18-7-8-19(14-21(18)16-23)25(5-1-2-6-26(30)31)20-4-3-13-28-17-20/h3-5,7-14,17,23,29H,1-2,6,15-16H2,(H,30,31)/b25-5+
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n/an/a 9n/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
Angiotensin II AT1B


(RAT)
BDBM50043263
PNG
(1-{2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...)
Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)N(C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C33H38N8O/c1-3-4-14-31-35-29-20-19-26(40(2)33(42)34-25-10-6-5-7-11-25)21-30(29)41(31)22-23-15-17-24(18-16-23)27-12-8-9-13-28(27)32-36-38-39-37-32/h8-9,12-13,15-21,25H,3-7,10-11,14,22H2,1-2H3,(H,34,42)(H,36,37,38,39)
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n/an/a 10n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50023655
PNG
(11-[2-(1-Methyl-piperidin-2-yl)-acetyl]-5,11-dihyd...)
Show SMILES CN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C20H22N4O2/c1-23-12-5-4-7-14(23)13-18(25)24-17-10-3-2-8-15(17)20(26)22-16-9-6-11-21-19(16)24/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3,(H,22,26)
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n/an/a 10n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic receptor of cerebral cortex containing Muscarinic acetylcholine receptor M1


J Med Chem 31: 1169-74 (1988)


Article DOI: 10.1021/jm00401a016
BindingDB Entry DOI: 10.7270/Q2DV1HW6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50043255
PNG
(2-Propyl-6-pyridin-2-yl-1-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccn1
Show InChI InChI=1S/C29H25N7/c1-2-7-28-31-26-16-15-22(25-10-5-6-17-30-25)18-27(26)36(28)19-20-11-13-21(14-12-20)23-8-3-4-9-24(23)29-32-34-35-33-29/h3-6,8-18H,2,7,19H2,1H3,(H,32,33,34,35)
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n/an/a 11n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50043824
PNG
(4-Chloro-N-(2-{4-[(E)-1-pyridin-3-yl-5-(1H-tetrazo...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)C(=CCCCc1nnn[nH]1)c1cccnc1
Show InChI InChI=1S/C25H25ClN6O2S/c26-22-11-13-23(14-12-22)35(33,34)28-17-15-19-7-9-20(10-8-19)24(21-4-3-16-27-18-21)5-1-2-6-25-29-31-32-30-25/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30,31,32)
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n/an/a 12n/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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50043862
PNG
((E)-4-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)C\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C23H21ClN2O4S/c24-20-7-9-21(10-8-20)31(29,30)26-15-13-17-3-5-18(6-4-17)22(11-12-23(27)28)19-2-1-14-25-16-19/h1-11,14,16,26H,12-13,15H2,(H,27,28)/b22-11+
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n/an/a 12n/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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50043829
PNG
((E)-6-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H25ClN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-16-14-19-5-3-6-20(17-19)24(8-1-2-9-25(29)30)21-7-4-15-27-18-21/h3-8,10-13,15,17-18,28H,1-2,9,14,16H2,(H,29,30)/b24-8+
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n/an/a 12n/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
Angiotensin II AT1B


(RAT)
BDBM50043271
PNG
(1,7'-Dimethyl-2'-propyl-3'-[2'-(1H-tetrazol-5-yl)-...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N8/c1-4-9-30-35-31-21(2)18-24(33-34-27-12-7-8-13-28(27)40(33)3)19-29(31)41(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)32-36-38-39-37-32/h5-8,10-19H,4,9,20H2,1-3H3,(H,36,37,38,39)
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n/an/a 13n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50043849
PNG
((E)-6-[6-(4-Chloro-benzenesulfonylamino)-5,6,7,8-t...)
Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1ccc2CC(CCc2c1)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN2O4S/c28-23-10-13-25(14-11-23)35(33,34)30-24-12-9-19-16-21(8-7-20(19)17-24)26(5-1-2-6-27(31)32)22-4-3-15-29-18-22/h3-5,7-8,10-11,13-16,18,24,30H,1-2,6,9,12,17H2,(H,31,32)/b26-5+
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n/an/a 13n/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))
BDBM50043823
PNG
((E)-6-(4-{2-[(4-Chloro-benzenesulfonyl)-methyl-ami...)
Show SMILES CN(CCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-29(34(32,33)24-14-12-23(27)13-15-24)18-16-20-8-10-21(11-9-20)25(6-2-3-7-26(30)31)22-5-4-17-28-19-22/h4-6,8-15,17,19H,2-3,7,16,18H2,1H3,(H,30,31)/b25-6+
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n/an/a 15n/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))
BDBM50043865
PNG
((E)-7-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C26H27ClN2O4S/c27-23-12-14-24(15-13-23)34(32,33)29-18-16-20-8-10-21(11-9-20)25(22-5-4-17-28-19-22)6-2-1-3-7-26(30)31/h4-6,8-15,17,19,29H,1-3,7,16,18H2,(H,30,31)/b25-6+
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n/an/a 19n/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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50043841
PNG
((E)-6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H25ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+
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n/an/a 19n/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))
BDBM50043861
PNG
((E)-6-Pyridin-3-yl-6-{4-[2-(2,4,6-trimethyl-benzen...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C28H32N2O4S/c1-20-17-21(2)28(22(3)18-20)35(33,34)30-16-14-23-10-12-24(13-11-23)26(8-4-5-9-27(31)32)25-7-6-15-29-19-25/h6-8,10-13,15,17-19,30H,4-5,9,14,16H2,1-3H3,(H,31,32)/b26-8+
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n/an/a 19n/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
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