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Compile Data Set for Download or QSAR

Found 47 hits from A.H. Robins Company   
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
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

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)


Article DOI: 10.1021/jm00108a012
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

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)


Article DOI: 10.1021/jm00108a012
BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017371
PNG
(1-[4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)C(C)=O
Show InChI InChI=1S/C30H33F2NO4/c1-21(34)22-4-13-28(29(20-22)36-2)37-19-3-16-33-17-14-25(15-18-33)30(35,23-5-9-26(31)10-6-23)24-7-11-27(32)12-8-24/h4-13,20,25,35H,3,14-19H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex


J Med Chem 32: 105-18 (1989)


Article DOI: 10.1021/jm00121a022
BindingDB Entry DOI: 10.7270/Q2WM1CD6
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=1/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

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)


Article DOI: 10.1021/jm00108a012
BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM76863
PNG
(3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzim...)
Show SMILES O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)
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n/an/a 9n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to Histamine H1 receptor in guinea pig cerebral cortex


J Med Chem 32: 105-18 (1989)


Article DOI: 10.1021/jm00121a022
BindingDB Entry DOI: 10.7270/Q2WM1CD6
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)


Article DOI: 10.1021/jm00104a003
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=1/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

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)


Article DOI: 10.1021/jm00108a012
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

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)


Article DOI: 10.1021/jm00108a012
BindingDB Entry DOI: 10.7270/Q23F4NMG
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.ClH/c10-16(13,14)15-9-3-1-2-8(6-9)12-5-4-11-7-12;/h1-7H,(H2,10,13,14);1H
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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)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017374
PNG
(1-(4-{3-[4-(Hydroxy-diphenyl-methyl)-piperidin-1-y...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1)C(C)=O
Show InChI InChI=1S/C30H35NO4/c1-23(32)24-14-15-28(29(22-24)34-2)35-21-9-18-31-19-16-27(17-20-31)30(33,25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-15,22,27,33H,9,16-21H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex


J Med Chem 32: 105-18 (1989)


Article DOI: 10.1021/jm00121a022
BindingDB Entry DOI: 10.7270/Q2WM1CD6
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.ClH/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);1H
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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)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017372
PNG
(4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-pip...)
Show SMILES COC(=O)c1ccc(OCCCN2CCC(CC2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H31F2NO4/c1-35-28(33)21-3-13-27(14-4-21)36-20-2-17-32-18-15-24(16-19-32)29(34,22-5-9-25(30)10-6-22)23-7-11-26(31)12-8-23/h3-14,24,34H,2,15-20H2,1H3
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n/an/a 63n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex


J Med Chem 32: 105-18 (1989)


Article DOI: 10.1021/jm00121a022
BindingDB Entry DOI: 10.7270/Q2WM1CD6
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.ClH/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);1H
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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)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
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)


Article DOI: 10.1021/jm00104a003
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.ClH/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);1H
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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)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
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.ClH/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);1H
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n/an/a 94n/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)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50225187
PNG
(CHEMBL28700)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNO3.Na/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);/q;+1/p-1
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n/an/a 100n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50224285
PNG
(AHR-5850D | AMFENAC SODIUM | Amfenac Sodium | Amfe...)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3.Na/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);/q;+1/p-1
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n/an/a 100n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
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.ClH/c10-16(13,14)15-9-3-1-8(2-4-9)12-6-5-11-7-12;/h1-7H,(H2,10,13,14);1H
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n/an/a 120n/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)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Cyclooxygenase


(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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n/an/a 200n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 6


(Bos taurus)
BDBM50230220
PNG
(CHEMBL555771)
Show SMILES Cl.Cc1cn(cn1)-c1cccc(OCCOS(N)(=O)=O)c1
Show InChI InChI=1S/C12H15N3O4S.ClH/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);1H
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n/an/a 210n/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)


Article DOI: 10.1021/jm00104a003
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.ClH/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);1H
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n/an/a 250n/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)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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n/an/a 295n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex


J Med Chem 32: 105-18 (1989)


Article DOI: 10.1021/jm00121a022
BindingDB Entry DOI: 10.7270/Q2WM1CD6
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228722
PNG
(CHEMBL75896)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(=O)C1CCCCC1
Show InChI InChI=1S/C15H19NO3.Na/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);/q;+1/p-1
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n/an/a 400n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
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=1/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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n/an/a 430n/an/an/an/an/an/a



A.H. Robins Company

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)


Article DOI: 10.1021/jm00108a012
BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007535
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-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



A.H. Robins Company

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)


Article DOI: 10.1021/jm00108a012
BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017373
PNG
(4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-pip...)
Show SMILES CCOC(=O)c1ccc(OCCCN2CCC(CC2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H33F2NO4/c1-2-36-29(34)22-4-14-28(15-5-22)37-21-3-18-33-19-16-25(17-20-33)30(35,23-6-10-26(31)11-7-23)24-8-12-27(32)13-9-24/h4-15,25,35H,2-3,16-21H2,1H3
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n/an/a 956n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex


J Med Chem 32: 105-18 (1989)


Article DOI: 10.1021/jm00121a022
BindingDB Entry DOI: 10.7270/Q2WM1CD6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007541
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-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



A.H. Robins Company

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)


Article DOI: 10.1021/jm00108a012
BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007537
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-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



A.H. Robins Company

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)


Article DOI: 10.1021/jm00108a012
BindingDB Entry DOI: 10.7270/Q23F4NMG
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228720
PNG
(CHEMBL73295)
Show SMILES CCOC(=O)Cc1cccc(C(=O)c2ccccc2)c1N
Show InChI InChI=1S/C17H17NO3/c1-2-21-15(19)11-13-9-6-10-14(16(13)18)17(20)12-7-4-3-5-8-12/h3-10H,2,11,18H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228719
PNG
(CHEMBL74825)
Show SMILES CCOC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1N
Show InChI InChI=1S/C17H16ClNO3/c1-2-22-15(20)10-12-4-3-5-14(16(12)19)17(21)11-6-8-13(18)9-7-11/h3-9H,2,10,19H2,1H3
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n/an/a 7.30E+4n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228731
PNG
(AHR-9434 | AL-6515 | CHEBI:75922 | Ilevro | NEPAFE...)
Show SMILES NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N
Show InChI InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228721
PNG
(CHEMBL307591)
Show SMILES Nc1c(CCO)cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H15NO2/c16-14-11(9-10-17)7-4-8-13(14)15(18)12-5-2-1-3-6-12/h1-8,17H,9-10,16H2
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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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228727
PNG
(CHEMBL306135)
Show SMILES OC(=O)Cc1cccc2c(onc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClNO3/c16-11-6-4-9(5-7-11)15-12-3-1-2-10(8-13(18)19)14(12)17-20-15/h1-7H,8H2,(H,18,19)
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n/an/a>5.00E+5n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228729
PNG
(CHEMBL78263)
Show SMILES Nc1c(CCO)cccc1C(O)c1ccccc1
Show InChI InChI=1/C15H17NO2/c16-14-11(9-10-17)7-4-8-13(14)15(18)12-5-2-1-3-6-12/h1-8,15,17-18H,9-10,16H2
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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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228564
PNG
(CHEMBL306178)
Show SMILES NC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1N
Show InChI InChI=1S/C15H13ClN2O2/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)18)8-13(17)19/h1-7H,8,18H2,(H2,17,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228714
PNG
(CHEMBL77275)
Show SMILES Nc1c(CCO)cccc1C(O)c1ccc(Cl)cc1
Show InChI InChI=1/C15H16ClNO2/c16-12-6-4-11(5-7-12)15(19)13-3-1-2-10(8-9-18)14(13)17/h1-7,15,18-19H,8-9,17H2
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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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228723
PNG
(CHEMBL75083)
Show SMILES CCOC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1NC(=O)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3NO4/c1-2-28-15(25)10-12-4-3-5-14(16(12)24-18(27)19(21,22)23)17(26)11-6-8-13(20)9-7-11/h3-9H,2,10H2,1H3,(H,24,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228724
PNG
(CHEMBL73205)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(O)c1ccc(Cl)cc1
Show InChI InChI=1/C15H14ClNO3.Na/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;/h1-7,15,20H,8,17H2,(H,18,19);/q;+1/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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228725
PNG
(CHEMBL73348)
Show SMILES [Na+].Nc1c(CC([O-])=O)cccc1C(O)c1ccccc1
Show InChI InChI=1/C15H15NO3.Na/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;/h1-8,15,19H,9,16H2,(H,17,18);/q;+1/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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228716
PNG
(CHEMBL451236)
Show SMILES OC(=O)Cc1cccc(C(=O)c2ccccc2)c1[N+]([O-])=O
Show InChI InChI=1S/C15H11NO5/c17-13(18)9-11-7-4-8-12(14(11)16(20)21)15(19)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
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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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228728
PNG
(CHEMBL76126)
Show SMILES OC(=O)Cc1cccc2c(onc12)-c1ccccc1
Show InChI InChI=1S/C15H11NO3/c17-13(18)9-11-7-4-8-12-14(11)16-19-15(12)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
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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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228726
PNG
(CHEMBL307484)
Show SMILES Nc1c(cccc1C(=O)c1ccc(Cl)cc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C17H14ClNO4/c18-11-6-4-10(5-7-11)17(23)13-3-1-2-12(16(13)19)14(20)8-9-15(21)22/h1-7H,8-9,19H2,(H,21,22)
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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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228732
PNG
(CHEMBL75646)
Show SMILES CN(C)c1c(CC(O)=O)cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C17H17NO3/c1-18(2)16-13(11-15(19)20)9-6-10-14(16)17(21)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,19,20)
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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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50012909
PNG
(CHEMBL76451 | [3-(4-Chloro-benzoyl)-2-nitro-phenyl...)
Show SMILES OC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1[N+]([O-])=O
Show InChI InChI=1S/C15H10ClNO5/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(8-13(18)19)14(12)17(21)22/h1-7H,8H2,(H,18,19)
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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)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228713
PNG
(CHEMBL75581)
Show SMILES Nc1c(CCO)cccc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO2/c16-12-6-4-11(5-7-12)15(19)13-3-1-2-10(8-9-18)14(13)17/h1-7,18H,8-9,17H2
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PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50228730
PNG
(CHEMBL75445)
Show SMILES Nc1c(cccc1C(=O)c1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C17H15NO4/c18-16-12(14(19)9-10-15(20)21)7-4-8-13(16)17(22)11-5-2-1-3-6-11/h1-8H,9-10,18H2,(H,20,21)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 33: 2296-304 (1990)


Article DOI: 10.1021/jm00170a039
BindingDB Entry DOI: 10.7270/Q2MS3RR7
More data for this
Ligand-Target Pair