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PubMed code 1353796

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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))
BDBM50368367
PNG
(CHEMBL1202934)
Show SMILES CC(C)c1ccc(cc1)C1SCC(=O)N1CCCN(C)C
Show InChI InChI=1S/C17H26N2OS/c1-13(2)14-6-8-15(9-7-14)17-19(16(20)12-21-17)11-5-10-18(3)4/h6-9,13,17H,5,10-12H2,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368376
PNG
(CHEMBL1202938)
Show SMILES CN(C)CCCN1C(SCC1=O)c1ccc(C)cc1
Show InChI InChI=1S/C15H22N2OS/c1-12-5-7-13(8-6-12)15-17(14(18)11-19-15)10-4-9-16(2)3/h5-8,15H,4,9-11H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002120
PNG
(2-(3-Chloro-phenyl)-3-(3-dimethylamino-propyl)-thi...)
Show SMILES CN(C)CCCN1C(SCC1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H19ClN2OS/c1-16(2)7-4-8-17-13(18)10-19-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,14H,4,7-8,10H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368372
PNG
(CHEMBL1202937)
Show SMILES CN(C)CCCN1C(SCC1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H19BrN2OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368366
PNG
(CHEMBL1202933)
Show SMILES CN(C)CCCN1C(SCC1=O)c1cccc(F)c1
Show InChI InChI=1S/C14H19FN2OS/c1-16(2)7-4-8-17-13(18)10-19-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,14H,4,7-8,10H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368373
PNG
(CHEMBL1202942)
Show SMILES CN(C)CCCN1C(SCC1=O)c1cccc(C)c1
Show InChI InChI=1S/C15H22N2OS/c1-12-6-4-7-13(10-12)15-17(14(18)11-19-15)9-5-8-16(2)3/h4,6-7,10,15H,5,8-9,11H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368365
PNG
(CHEMBL1202936)
Show SMILES CN(C)CCCN1C(SCC1=O)c1ccccc1
Show InChI InChI=1S/C14H20N2OS/c1-15(2)9-6-10-16-13(17)11-18-14(16)12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002118
PNG
(2-(4-Chloro-phenyl)-3-(3-dimethylamino-propyl)-thi...)
Show SMILES CN(C)CCCN1C(SCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10H2,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368370
PNG
(CHEMBL1202939)
Show SMILES CN(C)CCCN1C(SCC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C14H19FN2OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368368
PNG
(CHEMBL1202941)
Show SMILES COc1cccc(c1)C1SCC(=O)N1CCCN(C)C
Show InChI InChI=1S/C15H22N2O2S/c1-16(2)8-5-9-17-14(18)11-20-15(17)12-6-4-7-13(10-12)19-3/h4,6-7,10,15H,5,8-9,11H2,1-3H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368377
PNG
(CHEMBL1202935)
Show SMILES CN(C)CCCN1C(SCC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C14H21N3OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10,15H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368371
PNG
(CHEMBL1202932)
Show SMILES CN(C)CCCN1C(SCC1=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H19BrN2OS/c1-16(2)7-4-8-17-13(18)10-19-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,14H,4,7-8,10H2,1-2H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368369
PNG
(CHEMBL1202940)
Show SMILES CN(C)CCCN1C(SCC1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H19N3O3S/c1-15(2)7-4-8-16-13(18)10-21-14(16)11-5-3-6-12(9-11)17(19)20/h3,5-6,9,14H,4,7-8,10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368374
PNG
(CHEMBL1202930)
Show SMILES CN(C)CCCN1C(SCC1=O)c1ccncc1
Show InChI InChI=1S/C13H19N3OS/c1-15(2)8-3-9-16-12(17)10-18-13(16)11-4-6-14-7-5-11/h4-7,13H,3,8-10H2,1-2H3
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Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Compound was tested in vitro for histamine H1-antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM74475
PNG
(3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,...)
Show SMILES COc1ccc(cc1)C1SCC(=O)N1CCCN(C)C
Show InChI InChI=1S/C15H22N2O2S/c1-16(2)9-4-10-17-14(18)11-20-15(17)12-5-7-13(19-3)8-6-12/h5-8,15H,4,9-11H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368378
PNG
(CHEMBL1202943)
Show SMILES CN(C)CCCN1C(SCC1=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H19N3O3S/c1-15(2)8-3-9-16-13(18)10-21-14(16)11-4-6-12(7-5-11)17(19)20/h4-7,14H,3,8-10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50368375
PNG
(CHEMBL1202944)
Show SMILES CN(C)CCN1C(SCC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2OS/c1-14(2)8-9-15-12(16)10-17-13(15)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum


J Med Chem 35: 2910-2 (1992)


BindingDB Entry DOI: 10.7270/Q2XK8G4G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%