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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'welstead' and Initial = 'wj'   
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
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007538
PNG
(8-(2-Azetidin-1-yl-ethyl)-3-chloro-6-methyl-7,8-di...)
Show SMILES CN1C[C@@H](CCN2CCC2)Oc2ncc(Cl)cc2C1=S
Show InChI InChI=1S/C14H18ClN3OS/c1-17-9-11(3-6-18-4-2-5-18)19-13-12(14(17)20)7-10(15)8-16-13/h7-8,11H,2-6,9H2,1H3/t11-/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the histamine receptor in guinea pig cortex

J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007542
PNG
(3-Chloro-8-(2-dimethylamino-ethyl)-6-methyl-7,8-di...)
Show SMILES CN(C)CC[C@@H]1CN(C)C(=S)c2cc(Cl)cnc2O1
Show InChI InChI=1S/C13H18ClN3OS/c1-16(2)5-4-10-8-17(3)13(19)11-6-9(14)7-15-12(11)18-10/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the histamine receptor in guinea pig cortex

J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225193
PNG
(CHEMBL432463)
Show SMILES [Na+].CSc1ccc(cc1)C(=O)c1cc(F)cc(CC([O-])=O)c1N
Show InChI InChI=1S/C16H14FNO3S/c1-22-12-4-2-9(3-5-12)16(21)13-8-11(17)6-10(15(13)18)7-14(19)20/h2-6,8H,7,18H2,1H3,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM35938
PNG
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
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n/an/a 8.80n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex

J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225184
PNG
(CHEMBL28976)
Show SMILES [Na+].CSc1ccc(cc1)C(=O)c1cc(Cl)cc(CC([O-])=O)c1N
Show InChI InChI=1S/C16H14ClNO3S/c1-22-12-4-2-9(3-5-12)16(21)13-8-11(17)6-10(15(13)18)7-14(19)20/h2-6,8H,7,18H2,1H3,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225190
PNG
(CHEMBL28508)
Show SMILES [Na+].Cc1ccc(cc1)C(=O)c1cc(Cl)cc(CC([O-])=O)c1N
Show InChI InChI=1S/C16H14ClNO3/c1-9-2-4-10(5-3-9)16(21)13-8-12(17)6-11(15(13)18)7-14(19)20/h2-6,8H,7,18H2,1H3,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225114
PNG
(CHEMBL28507)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(Cl)cc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrClNO3/c16-10-3-1-8(2-4-10)15(21)12-7-11(17)5-9(14(12)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50004172
PNG
(CHEMBL544763 | Sulfamic acid 2-(4-imidazol-1-yl-ph...)
Show SMILES NS(=O)(=O)OCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C11H13N3O4S/c12-19(15,16)18-8-7-17-11-3-1-10(2-4-11)14-6-5-13-9-14/h1-6,9H,7-8H2,(H2,12,15,16)
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n/an/a 23n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007536
PNG
(CHEMBL24517 | [3-(5-Chloro-pyridin-2-yl)-3-pyridin...)
Show SMILES CN(C)CCC(c1ccccn1)c1ccc(Cl)cn1
Show InChI InChI=1S/C15H18ClN3/c1-19(2)10-8-13(14-5-3-4-9-17-14)15-7-6-12(16)11-18-15/h3-7,9,11,13H,8,10H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex

J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007539
PNG
(8-(2-Dimethylamino-ethyl)-6-methyl-7,8-dihydro-6H-...)
Show SMILES CN(C)CC[C@@H]1CN(C)C(=S)c2cccnc2O1
Show InChI InChI=1S/C13H19N3OS/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the histamine receptor in guinea pig cortex

J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225186
PNG
(CHEMBL281012)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(Cl)cc1C(=O)c1ccc(I)cc1
Show InChI InChI=1S/C15H11ClINO3/c16-10-5-9(6-13(19)20)14(18)12(7-10)15(21)8-1-3-11(17)4-2-8/h1-5,7H,6,18H2,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225122
PNG
(CHEMBL29047)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(F)cc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrFNO3/c16-10-3-1-8(2-4-10)15(21)12-7-11(17)5-9(14(12)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230218
PNG
(CHEMBL545555)
Show SMILES Cl.NS(=O)(=O)Oc1cccc(c1)-n1ccnc1
Show InChI InChI=1S/C9H9N3O3S/c10-16(13,14)15-9-3-1-2-8(6-9)12-5-4-11-7-12/h1-7H,(H2,10,13,14)
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n/an/a 42n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225141
PNG
(CHEMBL418035)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(Cl)cc1C(=O)c1ccc(Br)cc1Cl
Show InChI InChI=1S/C15H10BrCl2NO3/c16-8-1-2-10(12(18)5-8)15(22)11-6-9(17)3-7(14(11)19)4-13(20)21/h1-3,5-6H,4,19H2,(H,20,21)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230217
PNG
(CHEMBL555867)
Show SMILES Cl.Cc1nccn1-c1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C10H11N3O3S/c1-8-12-5-6-13(8)9-3-2-4-10(7-9)16-17(11,14)15/h2-7H,1H3,(H2,11,14,15)
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n/an/a 50n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225136
PNG
(CHEMBL538408)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1Cl
Show InChI InChI=1S/C15H11BrClNO3/c16-9-4-5-10(12(17)7-9)15(21)11-3-1-2-8(14(11)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230221
PNG
(CHEMBL541599)
Show SMILES Cl.NS(=O)(=O)OCCOc1cccc(c1)-n1ccnc1
Show InChI InChI=1S/C11H13N3O4S/c12-19(15,16)18-7-6-17-11-3-1-2-10(8-11)14-5-4-13-9-14/h1-5,8-9H,6-7H2,(H2,12,15,16)
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n/an/a 69n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225195
PNG
(CHEMBL31313)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(I)cc1
Show InChI InChI=1S/C15H12INO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225123
PNG
(CHEMBL28543)
Show SMILES [Na+].Cc1ccc(cc1)C(=O)c1cc(F)cc(CC([O-])=O)c1N
Show InChI InChI=1S/C16H14FNO3/c1-9-2-4-10(5-3-9)16(21)13-8-12(17)6-11(15(13)18)7-14(19)20/h2-6,8H,7,18H2,1H3,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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n/an/a 72n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230214
PNG
(CHEMBL555738)
Show SMILES Cl.Cc1nccn1-c1cccc(OCCOS(N)(=O)=O)c1
Show InChI InChI=1S/C12H15N3O4S/c1-10-14-5-6-15(10)11-3-2-4-12(9-11)18-7-8-19-20(13,16)17/h2-6,9H,7-8H2,1H3,(H2,13,16,17)
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n/an/a 77n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225126
PNG
(CHEMBL283267)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17NO3/c22-20-17(13-19(23)24)7-4-8-18(20)21(25)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12H,13,22H2,(H,23,24)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225143
PNG
(AHR-10282B | Bromday | Bromfenac Sodium | Bromsite...)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230219
PNG
(CHEMBL545088)
Show SMILES Cl.Cc1cn(cn1)-c1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C10H11N3O3S/c1-8-6-13(7-12-8)9-3-2-4-10(5-9)16-17(11,14)15/h2-7H,1H3,(H2,11,14,15)
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A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225176
PNG
(CHEMBL29291)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(F)cc1C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H10Cl2FNO3/c16-8-1-2-10(12(17)5-8)15(22)11-6-9(18)3-7(14(11)19)4-13(20)21/h1-3,5-6H,4,19H2,(H,20,21)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225134
PNG
(CHEMBL32037)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(F)cc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClFNO3/c16-10-3-1-8(2-4-10)15(21)12-7-11(17)5-9(14(12)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225121
PNG
(CHEMBL286716)
Show SMILES [Na+].CSc1ccc(cc1)C(=O)c1cccc(CC([O-])=O)c1N
Show InChI InChI=1S/C16H15NO3S/c1-21-12-7-5-10(6-8-12)16(20)13-4-2-3-11(15(13)17)9-14(18)19/h2-8H,9,17H2,1H3,(H,18,19)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225118
PNG
(CHEMBL436147)
Show SMILES [Na+].Cc1ccc(C(=O)c2cccc(CC([O-])=O)c2N)c(C)c1
Show InChI InChI=1S/C17H17NO3/c1-10-6-7-13(11(2)8-10)17(21)14-5-3-4-12(16(14)18)9-15(19)20/h3-8H,9,18H2,1-2H3,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50225187
PNG
(CHEMBL28700)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)/p-1
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A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase

J Med Chem 33: 2296-304 (1990)


BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50224285
PNG
(AHR-5850D | Amfenac Sodium | CHEBI:75918)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)/p-1
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A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase

J Med Chem 33: 2296-304 (1990)


BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230216
PNG
(CHEMBL553542)
Show SMILES Cl.NS(=O)(=O)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C9H9N3O3S/c10-16(13,14)15-9-3-1-8(2-4-9)12-6-5-11-7-12/h1-7H,(H2,10,13,14)
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A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225181
PNG
(CHEMBL282828)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(F)cc1C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H11F2NO3/c16-10-3-1-8(2-4-10)15(21)12-7-11(17)5-9(14(12)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase

J Med Chem 33: 2296-304 (1990)


BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225140
PNG
(CHEMBL28955)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(F)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H12FNO3/c16-11-6-10(7-13(18)19)14(17)12(8-11)15(20)9-4-2-1-3-5-9/h1-6,8H,7,17H2,(H,18,19)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50224285
PNG
(AHR-5850D | Amfenac Sodium | CHEBI:75918)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50224285
PNG
(AHR-5850D | Amfenac Sodium | CHEBI:75918)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells

J Med Chem 25: 446-51 (1982)


BindingDB Entry DOI: 10.7270/Q28P62QH
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230220
PNG
(CHEMBL555771)
Show SMILES Cl.Cc1cn(cn1)-c1cccc(OCCOS(N)(=O)=O)c1
Show InChI InChI=1S/C12H15N3O4S/c1-10-8-15(9-14-10)11-3-2-4-12(7-11)18-5-6-19-20(13,16)17/h2-4,7-9H,5-6H2,1H3,(H2,13,16,17)
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A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230215
PNG
(CHEMBL543683)
Show SMILES Cl.NS(=O)(=O)OCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C12H15N3O4S/c13-20(16,17)19-9-1-8-18-12-4-2-11(3-5-12)15-7-6-14-10-15/h2-7,10H,1,8-9H2,(H2,13,16,17)
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A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225117
PNG
(CHEMBL28703)
Show SMILES [Na+].Cc1ccc(cc1)C(=O)c1cccc(CC([O-])=O)c1N
Show InChI InChI=1S/C16H15NO3/c1-10-5-7-11(8-6-10)16(20)13-4-2-3-12(15(13)17)9-14(18)19/h2-8H,9,17H2,1H3,(H,18,19)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225135
PNG
(CHEMBL284647)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H12ClNO3/c16-12-7-2-1-5-10(12)15(20)11-6-3-4-9(14(11)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225187
PNG
(CHEMBL28700)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225130
PNG
(CHEMBL27620)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(Cl)cc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11Cl2NO3/c16-10-3-1-8(2-4-10)15(21)12-7-11(17)5-9(14(12)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)		BDBM50228722
PNG
(CHEMBL75896)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)C1CCCCC1
Show InChI InChI=1S/C15H19NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2,(H,17,18)/p-1
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A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase

J Med Chem 33: 2296-304 (1990)


BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225185
PNG
(CHEMBL28511)
Show SMILES [Na+].CSc1ccc(cc1)C(=O)c1cc(C)cc(CC([O-])=O)c1N
Show InChI InChI=1S/C17H17NO3S/c1-10-7-12(9-15(19)20)16(18)14(8-10)17(21)11-3-5-13(22-2)6-4-11/h3-8H,9,18H2,1-2H3,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007540
PNG
(CHEMBL279907 | [3-(4-Chloro-phenyl)-3-(5-chloro-py...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cn1
Show InChI InChI=1S/C16H18Cl2N2/c1-20(2)10-9-15(12-3-5-13(17)6-4-12)16-8-7-14(18)11-19-16/h3-8,11,15H,9-10H2,1-2H3
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A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex

J Med Chem 34: 1314-28 (1991)


BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225120
PNG
(CHEMBL28469)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H11Cl2NO3/c16-9-4-5-10(12(17)7-9)15(21)11-3-1-2-8(14(11)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225178
PNG
(CHEMBL282824)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(Br)cc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11BrClNO3/c16-10-5-9(6-13(19)20)14(18)12(7-10)15(21)8-1-3-11(17)4-2-8/h1-5,7H,6,18H2,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225191
PNG
(CHEMBL284879)
Show SMILES [Na+].Cc1cc(CC([O-])=O)c(N)c(c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClNO3/c1-9-6-11(8-14(19)20)15(18)13(7-9)16(21)10-2-4-12(17)5-3-10/h2-7H,8,18H2,1H3,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225113
PNG
(CHEMBL441960)
Show SMILES [Na+].Cc1cc(CC([O-])=O)c(N)c(c1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H14BrNO3/c1-9-6-11(8-14(19)20)15(18)13(7-9)16(21)10-2-4-12(17)5-3-10/h2-7H,8,18H2,1H3,(H,19,20)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)		BDBM50225139
PNG
(CHEMBL29112)
Show SMILES [Na+].Nc1c(CC([O-])=O)cc(Br)cc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H11Br2NO3/c16-10-3-1-8(2-4-10)15(21)12-7-11(17)5-9(14(12)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)/p-1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.

J Med Chem 27: 1379-88 (1984)


BindingDB Entry DOI: 10.7270/Q2222X0V
More data for this
Ligand-Target Pair
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