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PubMed code 2879912

Compile data set for download or QSAR
Found 55 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))		BDBM50019624
PNG
(1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCCN(C)CC1
Show InChI InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3
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n/an/a 6.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019595
PNG
(2-(4-Methyl-piperazin-1-yl)-1-(2-phenoxy-ethyl)-1H...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C20H24N4O/c1-22-11-13-23(14-12-22)20-21-18-9-5-6-10-19(18)24(20)15-16-25-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
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n/an/a 6.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019605
PNG
(1-(2-Ethoxy-ethyl)-2-(4-pentyl-[1,4]diazepan-1-yl)...)
Show SMILES CCCCCN1CCCN(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C21H34N4O/c1-3-5-8-12-23-13-9-14-24(16-15-23)21-22-19-10-6-7-11-20(19)25(21)17-18-26-4-2/h6-7,10-11H,3-5,8-9,12-18H2,1-2H3
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n/an/a 7.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019643
PNG
(2-(4-Butyl-[1,4]diazepan-1-yl)-1-(2-ethoxy-ethyl)-...)
Show SMILES CCCCN1CCCN(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C20H32N4O/c1-3-5-11-22-12-8-13-23(15-14-22)20-21-18-9-6-7-10-19(18)24(20)16-17-25-4-2/h6-7,9-10H,3-5,8,11-17H2,1-2H3
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n/an/a 8.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019644
PNG
(1-(2-Ethoxy-ethyl)-2-(4-propyl-[1,4]diazepan-1-yl)...)
Show SMILES CCCN1CCCN(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C19H30N4O/c1-3-10-21-11-7-12-22(14-13-21)19-20-17-8-5-6-9-18(17)23(19)15-16-24-4-2/h5-6,8-9H,3-4,7,10-16H2,1-2H3
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n/an/a 8.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019602
PNG
(1-(2-Ethoxy-ethyl)-2-(4-hexyl-piperazin-1-yl)-1H-b...)
Show SMILES CCCCCCN1CCN(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C21H34N4O/c1-3-5-6-9-12-23-13-15-24(16-14-23)21-22-19-10-7-8-11-20(19)25(21)17-18-26-4-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3
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n/an/a 8.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019628
PNG
(2-(4-Methyl-[1,4]diazepan-1-yl)-1-(2-phenoxy-ethyl...)
Show SMILES CN1CCCN(CC1)c1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C21H26N4O/c1-23-12-7-13-24(15-14-23)21-22-19-10-5-6-11-20(19)25(21)16-17-26-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3
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n/an/a 9.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019609
PNG
(2-(4-Methyl-[1,4]diazepan-1-yl)-1-(2-prop-2-ynylox...)
Show SMILES CN1CCCN(CC1)c1nc2ccccc2n1CCOCC#C
Show InChI InChI=1S/C18H24N4O/c1-3-14-23-15-13-22-17-8-5-4-7-16(17)19-18(22)21-10-6-9-20(2)11-12-21/h1,4-5,7-8H,6,9-15H2,2H3
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n/an/a 9.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019607
PNG
(1-(2-Ethoxy-ethyl)-2-(4-methyl-piperazin-1-yl)-1H-...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C16H24N4O/c1-3-21-13-12-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19/h4-7H,3,8-13H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019636
PNG
(2-(4-Methyl-piperazin-1-yl)-1-(2-vinyloxy-ethyl)-1...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCOC=C
Show InChI InChI=1S/C16H22N4O/c1-3-21-13-12-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19/h3-7H,1,8-13H2,2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019618
PNG
(1-(2-Allyloxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-y...)
Show SMILES CN1CCCN(CC1)c1nc2ccccc2n1CCOCC=C
Show InChI InChI=1S/C18H26N4O/c1-3-14-23-15-13-22-17-8-5-4-7-16(17)19-18(22)21-10-6-9-20(2)11-12-21/h3-5,7-8H,1,6,9-15H2,2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019614
PNG
(1-(2-Butoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)...)
Show SMILES CCCCOCCn1c(nc2ccccc12)N1CCCN(C)CC1
Show InChI InChI=1S/C19H30N4O/c1-3-4-15-24-16-14-23-18-9-6-5-8-17(18)20-19(23)22-11-7-10-21(2)12-13-22/h5-6,8-9H,3-4,7,10-16H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019629
PNG
(1-(2-Ethoxy-ethyl)-2-piperazin-1-yl-1H-benzoimidaz...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C15H22N4O/c1-2-20-12-11-19-14-6-4-3-5-13(14)17-15(19)18-9-7-16-8-10-18/h3-6,16H,2,7-12H2,1H3
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
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 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019596
PNG
(2-(4-Methyl-piperazin-1-yl)-1-(2-prop-2-ynyloxy-et...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCOCC#C
Show InChI InChI=1S/C17H22N4O/c1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20/h1,4-7H,8-14H2,2H3
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019634
PNG
(1-(2-Methoxy-ethyl)-2-(4-methyl-piperazin-1-yl)-1H...)
Show SMILES COCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C15H22N4O/c1-17-7-9-18(10-8-17)15-16-13-5-3-4-6-14(13)19(15)11-12-20-2/h3-6H,7-12H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019625
PNG
(2-(4-Benzyl-[1,4]diazepan-1-yl)-1-(2-ethoxy-ethyl)...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H30N4O/c1-2-28-18-17-27-22-12-7-6-11-21(22)24-23(27)26-14-8-13-25(15-16-26)19-20-9-4-3-5-10-20/h3-7,9-12H,2,8,13-19H2,1H3
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019597
PNG
(2-(4-Butyl-piperazin-1-yl)-1-(2-ethoxy-ethyl)-1H-b...)
Show SMILES CCCCN1CCN(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C19H30N4O/c1-3-5-10-21-11-13-22(14-12-21)19-20-17-8-6-7-9-18(17)23(19)15-16-24-4-2/h6-9H,3-5,10-16H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019631
PNG
(1-(2-Ethoxy-ethyl)-2-(4-propyl-piperazin-1-yl)-1H-...)
Show SMILES CCCN1CCN(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C18H28N4O/c1-3-9-20-10-12-21(13-11-20)18-19-16-7-5-6-8-17(16)22(18)14-15-23-4-2/h5-8H,3-4,9-15H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019611
PNG
(2-(4-Methyl-[1,4]diazepan-1-yl)-1-(2-propoxy-ethyl...)
Show SMILES CCCOCCn1c(nc2ccccc12)N1CCCN(C)CC1
Show InChI InChI=1S/C18H28N4O/c1-3-14-23-15-13-22-17-8-5-4-7-16(17)19-18(22)21-10-6-9-20(2)11-12-21/h4-5,7-8H,3,6,9-15H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019630
PNG
(1-(2-Ethoxy-ethyl)-2-(4-ethyl-[1,4]diazepan-1-yl)-...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCCN(CC)CC1
Show InChI InChI=1S/C18H28N4O/c1-3-20-10-7-11-21(13-12-20)18-19-16-8-5-6-9-17(16)22(18)14-15-23-4-2/h5-6,8-9H,3-4,7,10-15H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019616
PNG
(1-Benzyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimida...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C19H22N4/c1-21-11-13-22(14-12-21)19-20-17-9-5-6-10-18(17)23(19)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019617
PNG
(1-(2-Allyloxy-ethyl)-2-(4-methyl-piperazin-1-yl)-1...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCOCC=C
Show InChI InChI=1S/C17H24N4O/c1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20/h3-7H,1,8-14H2,2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019619
PNG
(2-(4-Methyl-piperazin-1-yl)-1-propoxymethyl-1H-ben...)
Show SMILES CCCOCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C16H24N4O/c1-3-12-21-13-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19/h4-7H,3,8-13H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019635
PNG
(1-(2-Ethoxy-ethyl)-2-(4-ethyl-piperazin-1-yl)-1H-b...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCN(CC)CC1
Show InChI InChI=1S/C17H26N4O/c1-3-19-9-11-20(12-10-19)17-18-15-7-5-6-8-16(15)21(17)13-14-22-4-2/h5-8H,3-4,9-14H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019626
PNG
(2-(4-Methyl-piperazin-1-yl)-1-pentyl-1H-benzoimida...)
Show SMILES CCCCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C17H26N4/c1-3-4-7-10-21-16-9-6-5-8-15(16)18-17(21)20-13-11-19(2)12-14-20/h5-6,8-9H,3-4,7,10-14H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019593
PNG
(1-(2-Ethylsulfanyl-ethyl)-2-(4-methyl-piperazin-1-...)
Show SMILES CCSCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C16H24N4S/c1-3-21-13-12-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19/h4-7H,3,8-13H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019599
PNG
(2-(4-Methyl-piperazin-1-yl)-1-(2-propoxy-ethyl)-1H...)
Show SMILES CCCOCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C17H26N4O/c1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20/h4-7H,3,8-14H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019639
PNG
(2-[1,4]Diazepan-1-yl-1-(2-ethoxy-ethyl)-1H-benzoim...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCCNCC1
Show InChI InChI=1S/C16H24N4O/c1-2-21-13-12-20-15-7-4-3-6-14(15)18-16(20)19-10-5-8-17-9-11-19/h3-4,6-7,17H,2,5,8-13H2,1H3
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019632
PNG
(1-Hexyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimidaz...)
Show SMILES CCCCCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C18H28N4/c1-3-4-5-8-11-22-17-10-7-6-9-16(17)19-18(22)21-14-12-20(2)13-15-21/h6-7,9-10H,3-5,8,11-15H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019627
PNG
(2-(4-Benzyl-piperazin-1-yl)-1-(2-ethoxy-ethyl)-1H-...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N4O/c1-2-27-17-16-26-21-11-7-6-10-20(21)23-22(26)25-14-12-24(13-15-25)18-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019601
PNG
(1-(2-Ethoxy-ethyl)-2-(4-pentyl-piperazin-1-yl)-1H-...)
Show SMILES CCCCCN1CCN(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C20H32N4O/c1-3-5-8-11-22-12-14-23(15-13-22)20-21-18-9-6-7-10-19(18)24(20)16-17-25-4-2/h6-7,9-10H,3-5,8,11-17H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019592
PNG
(1-(2-Ethoxy-ethyl)-2-(4-phenethyl-piperazin-1-yl)-...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H30N4O/c1-2-28-19-18-27-22-11-7-6-10-21(22)24-23(27)26-16-14-25(15-17-26)13-12-20-8-4-3-5-9-20/h3-11H,2,12-19H2,1H3
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019613
PNG
(1-(2-Butoxy-ethyl)-2-(4-methyl-piperazin-1-yl)-1H-...)
Show SMILES CCCCOCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C18H28N4O/c1-3-4-14-23-15-13-22-17-8-6-5-7-16(17)19-18(22)21-11-9-20(2)10-12-21/h5-8H,3-4,9-15H2,1-2H3
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019594
PNG
(2-{2-[2-(4-Methyl-piperazin-1-yl)-benzoimidazol-1-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCOCCO
Show InChI InChI=1S/C16H24N4O2/c1-18-6-8-19(9-7-18)16-17-14-4-2-3-5-15(14)20(16)10-12-22-13-11-21/h2-5,21H,6-13H2,1H3
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019620
PNG
(1-Butyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimidaz...)
Show SMILES CCCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C16H24N4/c1-3-4-9-20-15-8-6-5-7-14(15)17-16(20)19-12-10-18(2)11-13-19/h5-8H,3-4,9-13H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019633
PNG
(2-(4-Methyl-piperazin-1-yl)-1-propylsulfanylmethyl...)
Show SMILES CCCSCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C16H24N4S/c1-3-12-21-13-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19/h4-7H,3,8-13H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019598
PNG
(1-Heptyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimida...)
Show SMILES CCCCCCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C19H30N4/c1-3-4-5-6-9-12-23-18-11-8-7-10-17(18)20-19(23)22-15-13-21(2)14-16-22/h7-8,10-11H,3-6,9,12-16H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019610
PNG
(2-(4-Methyl-piperazin-1-yl)-1-phenethyl-1H-benzoim...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCc1ccccc1
Show InChI InChI=1S/C20H24N4/c1-22-13-15-23(16-14-22)20-21-18-9-5-6-10-19(18)24(20)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019608
PNG
(CHEMBL17959 | Ethyl-{2-[2-(4-methyl-piperazin-1-yl...)
Show SMILES CCNCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C16H25N5/c1-3-17-8-9-21-15-7-5-4-6-14(15)18-16(21)20-12-10-19(2)11-13-20/h4-7,17H,3,8-13H2,1-2H3
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019622
PNG
(1-Methyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimida...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1C
Show InChI InChI=1S/C13H18N4/c1-15-7-9-17(10-8-15)13-14-11-5-3-4-6-12(11)16(13)2/h3-6H,7-10H2,1-2H3
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019606
PNG
(2-(4-Methyl-piperazin-1-yl)-1-propyl-1H-benzoimida...)
Show SMILES CCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C15H22N4/c1-3-8-19-14-7-5-4-6-13(14)16-15(19)18-11-9-17(2)10-12-18/h4-7H,3,8-12H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019641
PNG
(2-[2-(4-Methyl-piperazin-1-yl)-benzoimidazol-1-yl]...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCO
Show InChI InChI=1S/C14H20N4O/c1-16-6-8-17(9-7-16)14-15-12-4-2-3-5-13(12)18(14)10-11-19/h2-5,19H,6-11H2,1H3
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n/an/a 410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019637
PNG
(1-(2-Benzyloxy-ethyl)-2-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCOCc1ccccc1
Show InChI InChI=1S/C21H26N4O/c1-23-11-13-24(14-12-23)21-22-19-9-5-6-10-20(19)25(21)15-16-26-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3
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n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019612
PNG
(1-(2-Methyl-pentyl)-2-(4-methyl-piperazin-1-yl)-1H...)
Show SMILES CCCC(C)Cn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C18H28N4/c1-4-7-15(2)14-22-17-9-6-5-8-16(17)19-18(22)21-12-10-20(3)11-13-21/h5-6,8-9,15H,4,7,10-14H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019603
PNG
(1-(3-Ethylsulfanyl-propyl)-2-(4-methyl-piperazin-1...)
Show SMILES CCSCCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C17H26N4S/c1-3-22-14-6-9-21-16-8-5-4-7-15(16)18-17(21)20-12-10-19(2)11-13-20/h4-5,7-8H,3,6,9-14H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019642
PNG
(2-(4-Methyl-piperazin-1-yl)-1-phenyl-1H-benzoimida...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C18H20N4/c1-20-11-13-21(14-12-20)18-19-16-9-5-6-10-17(16)22(18)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
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n/an/a 760n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019600
PNG
(1-(3-Methoxy-propyl)-2-(4-methyl-piperazin-1-yl)-1...)
Show SMILES COCCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C16H24N4O/c1-18-9-11-19(12-10-18)16-17-14-6-3-4-7-15(14)20(16)8-5-13-21-2/h3-4,6-7H,5,8-13H2,1-2H3
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n/an/a 860n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019621
PNG
(1-(1-Methyl-butyl)-2-(4-methyl-piperazin-1-yl)-1H-...)
Show SMILES CCCC(C)n1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C17H26N4/c1-4-7-14(2)21-16-9-6-5-8-15(16)18-17(21)20-12-10-19(3)11-13-20/h5-6,8-9,14H,4,7,10-13H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019645
PNG
(1-(3-Methyl-butyl)-2-(4-methyl-piperazin-1-yl)-1H-...)
Show SMILES CC(C)CCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C17H26N4/c1-14(2)8-9-21-16-7-5-4-6-15(16)18-17(21)20-12-10-19(3)11-13-20/h4-7,14H,8-13H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019615
PNG
(4-[1-(2-Ethoxy-ethyl)-1H-benzoimidazol-2-yl]-piper...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCN(CC1)C=O
Show InChI InChI=1S/C16H22N4O2/c1-2-22-12-11-20-15-6-4-3-5-14(15)17-16(20)19-9-7-18(13-21)8-10-19/h3-6,13H,2,7-12H2,1H3
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n/an/a>3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019638
PNG
(2-(4-Methyl-piperazin-1-yl)-1H-benzoimidazole | CH...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H16N4/c1-15-6-8-16(9-7-15)12-13-10-4-2-3-5-11(10)14-12/h2-5H,6-9H2,1H3,(H,13,14)
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n/an/a>3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019623
PNG
(2-(4-Benzhydryl-piperazin-1-yl)-1-(2-ethoxy-ethyl)...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N4O/c1-2-33-22-21-32-26-16-10-9-15-25(26)29-28(32)31-19-17-30(18-20-31)27(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,27H,2,17-22H2,1H3
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n/an/a>3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019640
PNG
(1-Decyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimidaz...)
Show SMILES CCCCCCCCCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C22H36N4/c1-3-4-5-6-7-8-9-12-15-26-21-14-11-10-13-20(21)23-22(26)25-18-16-24(2)17-19-25/h10-11,13-14H,3-9,12,15-19H2,1-2H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019604
PNG
(1-(2-Ethoxy-ethyl)-2-(4-phenyl-piperazin-1-yl)-1H-...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H26N4O/c1-2-26-17-16-25-20-11-7-6-10-19(20)22-21(25)24-14-12-23(13-15-24)18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%