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PubMed code 10866399

Compile data set for download or QSAR
Found 10 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))
BDBM50089149
PNG
(2-Benzyl-9-phenyl-2,3,4,4a-tetrahydro-1H-indeno[2,...)
Show SMILES C(N1CCC2C(C1)=C(c1ccccc21)c1ccccc1)c1ccccc1 |c:7|
Show InChI InChI=1S/C25H23N/c1-3-9-19(10-4-1)17-26-16-15-22-21-13-7-8-14-23(21)25(24(22)18-26)20-11-5-2-6-12-20/h1-14,22H,15-18H2
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PubMed
n/an/a 11n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50089150
PNG
(2-Ethyl-9-phenyl-2,3,4,9-tetrahydro-1H-indeno[2,1-...)
Show SMILES CCN1CCC2=C(C1)C(c1ccccc21)c1ccccc1 |c:5|
Show InChI InChI=1S/C20H21N/c1-2-21-13-12-17-16-10-6-7-11-18(16)20(19(17)14-21)15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3
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n/an/a 17n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50089148
PNG
(((3R,4S)-1-Ethyl-4-hydroxy-4-phenyl-piperidin-3-yl...)
Show SMILES CCN1CC[C@](O)([C@@H](C1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-2-21-14-13-20(23,17-11-7-4-8-12-17)18(15-21)19(22)16-9-5-3-6-10-16/h3-12,18,23H,2,13-15H2,1H3/t18-,20+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50089146
PNG
(((3R,4S)-4-Hydroxy-1-methyl-4-phenyl-piperidin-3-y...)
Show SMILES CN1CC[C@](O)([C@@H](C1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-20-13-12-19(22,16-10-6-3-7-11-16)17(14-20)18(21)15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3/t17-,19+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50089144
PNG
(2-Methyl-9-phenyl-2,3,4,4a-tetrahydro-1H-indeno[2,...)
Show SMILES CN1CCC2C(C1)=C(c1ccccc21)c1ccccc1 |c:7|
Show InChI InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3
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n/an/a 28n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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PubMed
n/an/a 34n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50089147
PNG
(2-Methyl-9-phenyl-2,3,4,9-tetrahydro-1H-indeno[2,1...)
Show SMILES CN1CCC2=C(C1)C(c1ccccc21)c1ccccc1 |c:4|
Show InChI InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3
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n/an/a 36n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50089151
PNG
(9-Phenyl-2,3-dihydro-1H-indeno[2,1-c]pyridine | CH...)
Show SMILES C1NCC2=C(c3ccccc3C2=C1)c1ccccc1 |c:13,t:3|
Show InChI InChI=1S/C18H15N/c1-2-6-13(7-3-1)18-16-9-5-4-8-14(16)15-10-11-19-12-17(15)18/h1-10,19H,11-12H2
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n/an/a 53n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50089152
PNG
(2-Methyl-9-phenyl-2,3-dihydro-1H-indeno[2,1-c]pyri...)
Show SMILES CN1CC=C2C(C1)=C(c1ccccc21)c1ccccc1 |c:3,7|
Show InChI InChI=1S/C19H17N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
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n/an/a 220n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50089145
PNG
(2-Benzyl-9-phenyl-2,3,4,9-tetrahydro-1H-indeno[2,1...)
Show SMILES C(N1CCC2=C(C1)C(c1ccccc21)c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C25H23N/c1-3-9-19(10-4-1)17-26-16-15-22-21-13-7-8-14-23(21)25(24(22)18-26)20-11-5-2-6-12-20/h1-14,25H,15-18H2
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n/an/a 470n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 10: 1277-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T152VB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%