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Compile Data Set for Download or QSAR

Found 7 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))
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))
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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Article
PubMed
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
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
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
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=1S/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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Article
PubMed
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
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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Article
PubMed
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
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)
PDB
MMDB

KEGG

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B.MOAD
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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