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Compile Data Set for Download or QSAR

Found 139 hits of kd data for polymerid = 2298,2980,49000659,49000660,49000663,49000664   
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 H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406532
PNG
(CHEMBL298859)
Show SMILES CC(C)CNC=Nc1ccc(cc1)-c1c[nH]cn1 |w:5.4|
Show InChI InChI=1S/C14H18N4/c1-11(2)7-15-9-17-13-5-3-12(4-6-13)14-8-16-10-18-14/h3-6,8-11H,7H2,1-2H3,(H,15,17)(H,16,18)
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n/an/an/a 5.25n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406533
PNG
(CHEMBL299537)
Show SMILES CCC(C)(C)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:6.5|
Show InChI InChI=1S/C15H20N4/c1-4-15(2,3)19-11-17-13-7-5-12(6-8-13)14-9-16-10-18-14/h5-11H,4H2,1-3H3,(H,16,18)(H,17,19)
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n/an/an/a 7.59n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404029
PNG
(CHEMBL45728)
Show SMILES [O-][N+](=O)c1ccc(NCCCCCCCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:36.38|
Show InChI InChI=1S/C31H42N9O4/c32-24-36-31(35-18-11-21-43-26-13-10-12-25(22-26)23-39-19-8-5-9-20-39)34-17-7-4-2-1-3-6-16-33-27-14-15-28(40(41)42)30-29(27)37-44-38-30/h10,12-15,22,33H,1-9,11,16-21,23H2,(H-,34,35,36)/q-1/p+1
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n/an/an/a 11.0n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium


Bioorg Med Chem Lett 13: 1717-20 (2003)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406530
PNG
(CHEMBL51541)
Show SMILES CC(C)(C)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:5.4|
Show InChI InChI=1S/C14H18N4/c1-14(2,3)18-10-16-12-6-4-11(5-7-12)13-8-15-9-17-13/h4-10H,1-3H3,(H,15,17)(H,16,18)
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n/an/an/a 11.2n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406528
PNG
(CHEMBL362059)
Show SMILES CCCCNC=Nc1ccc(cc1)-c1c[nH]cn1 |w:5.4|
Show InChI InChI=1S/C14H18N4/c1-2-3-8-15-10-17-13-6-4-12(5-7-13)14-9-16-11-18-14/h4-7,9-11H,2-3,8H2,1H3,(H,15,17)(H,16,18)
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n/an/an/a 11.2n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22892
PNG
(DA 4577 | DA-4577 | Mifentidine | N-[4-(1H-imidazo...)
Show SMILES CC(C)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:5.5|
Show InChI InChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8-17-13/h3-10H,1-2H3,(H,14,17)(H,15,16)
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n/an/an/a 12n/an/an/a7.8n/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.8


J Med Chem 30: 208-11 (1987)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406529
PNG
(CHEMBL51540)
Show SMILES CCC(C)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:5.4|
Show InChI InChI=1S/C14H18N4/c1-3-11(2)16-10-17-13-6-4-12(5-7-13)14-8-15-9-18-14/h4-11H,3H2,1-2H3,(H,15,18)(H,16,17)
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n/an/an/a 14.1n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22892
PNG
(DA 4577 | DA-4577 | Mifentidine | N-[4-(1H-imidazo...)
Show SMILES CC(C)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:5.5|
Show InChI InChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8-17-13/h3-10H,1-2H3,(H,14,17)(H,15,16)
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n/an/an/a 17n/an/an/a7.4n/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.4


J Med Chem 30: 208-11 (1987)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50036754
PNG
((1Z)-N'-(aminosulfonyl)-3-[({2-[(diaminomethylene)...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](=[#7])-[#7]S([#7])(=O)=O)cs1
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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n/an/an/a 18.2n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium


Bioorg Med Chem Lett 13: 1717-20 (2003)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404824
PNG
(CHEMBL302907)
Show SMILES NC(N)=Nc1nc(CSCCNc2ns(=O)nc2N)cs1
Show InChI InChI=1S/C9H14N8OS3/c10-6-7(17-21(18)16-6)13-1-2-19-3-5-4-20-9(14-5)15-8(11)12/h4H,1-3H2,(H2,10,16)(H,13,17)(H4,11,12,14,15)
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n/an/an/a 25.1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive antagonism of Histamine H2 receptor in the isolated guinea pig atrium


J Med Chem 25: 210-2 (1982)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404041
PNG
(CHEMBL45725)
Show SMILES [O-][N+](=O)c1ccc(NCCCCCC(=O)NCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:38.40|
Show InChI InChI=1S/C31H42N10O5/c32-23-37-31(35-15-8-20-45-25-10-7-9-24(21-25)22-40-18-5-2-6-19-40)36-17-16-34-28(42)11-3-1-4-14-33-26-12-13-27(41(43)44)30-29(26)38-46-39-30/h7,9-10,12-13,21,33H,1-6,8,11,14-20,22H2,(H3,34,35,36,37,42)
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n/an/an/a 25.7n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium


Bioorg Med Chem Lett 13: 1717-20 (2003)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406535
PNG
(CHEMBL50020)
Show SMILES CC(C)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:4.3|
Show InChI InChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8-17-13/h3-10H,1-2H3,(H,14,17)(H,15,16)
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n/an/an/a 28.2n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406527
PNG
(CHEMBL423660)
Show SMILES CCC(CC)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:6.5|
Show InChI InChI=1S/C15H20N4/c1-3-13(4-2)17-11-18-14-7-5-12(6-8-14)15-9-16-10-19-15/h5-11,13H,3-4H2,1-2H3,(H,16,19)(H,17,18)
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n/an/an/a 31.6n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404033
PNG
(CHEMBL46043)
Show SMILES [O-][N+](=O)c1ccc(NCCCCCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:34.36|
Show InChI InChI=1S/C29H38N9O4/c30-22-34-29(33-16-9-19-41-24-11-8-10-23(20-24)21-37-17-6-3-7-18-37)32-15-5-2-1-4-14-31-25-12-13-26(38(39)40)28-27(25)35-42-36-28/h8,10-13,20,31H,1-7,9,14-19,21H2,(H-,32,33,34)/q-1/p+1
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n/an/an/a 32.4n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium


Bioorg Med Chem Lett 13: 1717-20 (2003)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404035
PNG
(CHEMBL295682)
Show SMILES [O-][N+](=O)c1ccc(NCCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:31.33|
Show InChI InChI=1S/C26H32N9O4/c27-19-31-26(29-12-5-11-28-22-9-10-23(35(36)37)25-24(22)32-39-33-25)30-13-6-16-38-21-8-4-7-20(17-21)18-34-14-2-1-3-15-34/h4,7-10,17,28H,1-3,5-6,11-16,18H2,(H-,29,30,31)/q-1/p+1
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n/an/an/a 37.1n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium


Bioorg Med Chem Lett 13: 1717-20 (2003)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404032
PNG
(ROXATIDINE ACETATE)
Show SMILES CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
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n/an/an/a 38.9n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium


Bioorg Med Chem Lett 13: 1717-20 (2003)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406670
PNG
(DALCOTIDINE)
Show SMILES CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C18H29N3O2/c1-2-19-18(22)20-10-7-13-23-17-9-6-8-16(14-17)15-21-11-4-3-5-12-21/h6,8-9,14H,2-5,7,10-13,15H2,1H3,(H2,19,20,22)
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n/an/an/a 40.7n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406531
PNG
(CHEMBL296826)
Show SMILES CCNC=Nc1ccc(cc1)-c1c[nH]cn1 |w:3.2|
Show InChI InChI=1S/C12H14N4/c1-2-13-8-15-11-5-3-10(4-6-11)12-7-14-9-16-12/h3-9H,2H2,1H3,(H,13,15)(H,14,16)
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n/an/an/a 42.7n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406648
PNG
(CHEMBL82654)
Show SMILES CC(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C19H31N3O2/c1-16(2)21-19(23)20-10-7-13-24-18-9-6-8-17(14-18)15-22-11-4-3-5-12-22/h6,8-9,14,16H,3-5,7,10-13,15H2,1-2H3,(H2,20,21,23)
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n/an/an/a 43.6n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406660
PNG
(CHEMBL81545)
Show SMILES O=C(NCCCOc1cccc(CN2CCCCC2)c1)NC1CCCCC1
Show InChI InChI=1S/C22H35N3O2/c26-22(24-20-10-3-1-4-11-20)23-13-8-16-27-21-12-7-9-19(17-21)18-25-14-5-2-6-15-25/h7,9,12,17,20H,1-6,8,10-11,13-16,18H2,(H2,23,24,26)
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n/an/an/a 43.6n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22892
PNG
(DA 4577 | DA-4577 | Mifentidine | N-[4-(1H-imidazo...)
Show SMILES CC(C)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:5.5|
Show InChI InChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8-17-13/h3-10H,1-2H3,(H,14,17)(H,15,16)
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n/an/an/a 45.7n/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.0


J Med Chem 30: 208-11 (1987)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406655
PNG
(CHEMBL432167)
Show SMILES O=C(NCCCOc1cccc(CN2CCCCC2)c1)NC1CC1
Show InChI InChI=1S/C19H29N3O2/c23-19(21-17-8-9-17)20-10-5-13-24-18-7-4-6-16(14-18)15-22-11-2-1-3-12-22/h4,6-7,14,17H,1-3,5,8-13,15H2,(H2,20,21,23)
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n/an/an/a 47.9n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22893
PNG
(CHEMBL512 | Ranitidine | ZANTAC | dimethyl[(5-{[(2...)
Show SMILES CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Show InChI InChI=1S/C13H21N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9H,6-8,10H2,1-3H3,(H,14,15)/q-1/p+1
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n/an/an/a 64.6n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro inhibitory activity against histamine H2 receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406673
PNG
(CHEMBL78519)
Show SMILES CCCCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C20H33N3O2/c1-2-3-11-21-20(24)22-12-8-15-25-19-10-7-9-18(16-19)17-23-13-5-4-6-14-23/h7,9-10,16H,2-6,8,11-15,17H2,1H3,(H2,21,22,24)
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n/an/an/a 81.3n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406659
PNG
(CHEMBL78339)
Show SMILES FCCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C18H28FN3O2/c19-8-10-21-18(23)20-9-5-13-24-17-7-4-6-16(14-17)15-22-11-2-1-3-12-22/h4,6-7,14H,1-3,5,8-13,15H2,(H2,20,21,23)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406658
PNG
(CHEMBL81750)
Show SMILES CCC(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C20H33N3O2/c1-3-17(2)22-20(24)21-11-8-14-25-19-10-7-9-18(15-19)16-23-12-5-4-6-13-23/h7,9-10,15,17H,3-6,8,11-14,16H2,1-2H3,(H2,21,22,24)
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n/an/an/a 95.5n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406674
PNG
(CHEMBL82599)
Show SMILES CCCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C19H31N3O2/c1-2-10-20-19(23)21-11-7-14-24-18-9-6-8-17(15-18)16-22-12-4-3-5-13-22/h6,8-9,15H,2-5,7,10-14,16H2,1H3,(H2,20,21,23)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50036754
PNG
((1Z)-N'-(aminosulfonyl)-3-[({2-[(diaminomethylene)...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](=[#7])-[#7]S([#7])(=O)=O)cs1
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406666
PNG
(CHEMBL80046)
Show SMILES O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccccc1
Show InChI InChI=1S/C22H29N3O2/c26-22(24-20-10-3-1-4-11-20)23-13-8-16-27-21-12-7-9-19(17-21)18-25-14-5-2-6-15-25/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H2,23,24,26)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406647
PNG
(CHEMBL81506)
Show SMILES CNC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C17H27N3O2/c1-18-17(21)19-9-6-12-22-16-8-5-7-15(13-16)14-20-10-3-2-4-11-20/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H2,18,19,21)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406657
PNG
(CHEMBL309401)
Show SMILES Nc1cccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1
Show InChI InChI=1S/C22H30N4O2/c23-19-8-5-9-20(16-19)25-22(27)24-11-6-14-28-21-10-4-7-18(15-21)17-26-12-2-1-3-13-26/h4-5,7-10,15-16H,1-3,6,11-14,17,23H2,(H2,24,25,27)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro inhibitory activity against histamine H2 receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406656
PNG
(CHEMBL81039)
Show SMILES COc1ccc(OC)c(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1
Show InChI InChI=1S/C24H33N3O4/c1-29-20-10-11-23(30-2)22(17-20)26-24(28)25-12-7-15-31-21-9-6-8-19(16-21)18-27-13-4-3-5-14-27/h6,8-11,16-17H,3-5,7,12-15,18H2,1-2H3,(H2,25,26,28)
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n/an/an/a 158n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22893
PNG
(CHEMBL512 | Ranitidine | ZANTAC | dimethyl[(5-{[(2...)
Show SMILES CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Show InChI InChI=1S/C13H21N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9H,6-8,10H2,1-3H3,(H,14,15)/q-1/p+1
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Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium


Bioorg Med Chem Lett 13: 1717-20 (2003)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406661
PNG
(CHEMBL79974)
Show SMILES CC(C)CNC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C20H33N3O2/c1-17(2)15-22-20(24)21-10-7-13-25-19-9-6-8-18(14-19)16-23-11-4-3-5-12-23/h6,8-9,14,17H,3-5,7,10-13,15-16H2,1-2H3,(H2,21,22,24)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406664
PNG
(CHEMBL81859)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1
Show InChI InChI=1S/C22H28N4O4/c27-22(24-19-8-10-20(11-9-19)26(28)29)23-12-5-15-30-21-7-4-6-18(16-21)17-25-13-2-1-3-14-25/h4,6-11,16H,1-3,5,12-15,17H2,(H2,23,24,27)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro inhibitory activity against histamine H2 receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404038
PNG
(CHEMBL47917)
Show SMILES O=C(NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N)c1c2ccccc2nc2ccccc12 |w:25.27|
Show InChI InChI=1S/C33H37N7O2/c34-24-38-33(36-16-9-21-42-26-11-8-10-25(22-26)23-40-19-6-1-7-20-40)37-18-17-35-32(41)31-27-12-2-4-14-29(27)39-30-15-5-3-13-28(30)31/h2-5,8,10-15,22H,1,6-7,9,16-21,23H2,(H,35,41)(H2,36,37,38)
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n/an/an/a 182n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium


Bioorg Med Chem Lett 13: 1717-20 (2003)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406669
PNG
(CHEMBL80084)
Show SMILES COc1cccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1
Show InChI InChI=1S/C23H31N3O3/c1-28-21-10-6-9-20(17-21)25-23(27)24-12-7-15-29-22-11-5-8-19(16-22)18-26-13-3-2-4-14-26/h5-6,8-11,16-17H,2-4,7,12-15,18H2,1H3,(H2,24,25,27)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50405173
PNG
(CHEMBL545393)
Show SMILES Cc1nc[nH]c1CSCCNC(=N)NCCSCc1[nH]cnc1C
Show InChI InChI=1S/C15H25N7S2/c1-11-13(21-9-19-11)7-23-5-3-17-15(16)18-4-6-24-8-14-12(2)20-10-22-14/h9-10H,3-8H2,1-2H3,(H,19,21)(H,20,22)(H3,16,17,18)
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n/an/an/a 214n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against H2 receptor in guinea pig.


J Med Chem 28: 1414-22 (1985)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/an/a 263n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406652
PNG
(CHEMBL311978)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1
Show InChI InChI=1S/C22H28N4O4/c27-22(24-19-8-5-9-20(16-19)26(28)29)23-11-6-14-30-21-10-4-7-18(15-21)17-25-12-2-1-3-13-25/h4-5,7-10,15-16H,1-3,6,11-14,17H2,(H2,23,24,27)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406649
PNG
(CHEMBL81758)
Show SMILES O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C23H29N3O4/c27-23(25-19-8-9-21-22(15-19)30-17-29-21)24-10-5-13-28-20-7-4-6-18(14-20)16-26-11-2-1-3-12-26/h4,6-9,14-15H,1-3,5,10-13,16-17H2,(H2,24,25,27)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50405160
PNG
(CHEMBL1744352)
Show SMILES Cc1nc[nH]c1CSCCNC(=N)NCCCc1nccs1
Show InChI InChI=1S/C14H22N6S2/c1-11-12(20-10-19-11)9-21-7-5-18-14(15)17-4-2-3-13-16-6-8-22-13/h6,8,10H,2-5,7,9H2,1H3,(H,19,20)(H3,15,17,18)
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TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against H2 receptor in guinea pig.


J Med Chem 28: 1414-22 (1985)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406672
PNG
(CHEMBL309659)
Show SMILES Clc1cccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1
Show InChI InChI=1S/C22H28ClN3O2/c23-19-8-5-9-20(16-19)25-22(27)24-11-6-14-28-21-10-4-7-18(15-21)17-26-12-2-1-3-13-26/h4-5,7-10,15-16H,1-3,6,11-14,17H2,(H2,24,25,27)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406667
PNG
(CHEMBL80105)
Show SMILES O=C(NCCCOc1cccc(CN2CCCCC2)c1)NCc1ccccc1
Show InChI InChI=1S/C23H31N3O2/c27-23(25-18-20-9-3-1-4-10-20)24-13-8-16-28-22-12-7-11-21(17-22)19-26-14-5-2-6-15-26/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18-19H2,(H2,24,25,27)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/an/a 372n/an/an/a7.8n/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against Histamine H2 receptor expressed as the charge of receptor sensitivity was determined at pH 7.8


J Med Chem 30: 208-11 (1987)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/an/a 398n/an/an/a7.4n/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against Histamine H2 receptor expressed as the charge of receptor sensitivity was determined at pH 7.4


J Med Chem 30: 208-11 (1987)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406650
PNG
(CHEMBL82430)
Show SMILES CCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1
Show InChI InChI=1S/C24H33N3O3/c1-2-29-22-12-10-21(11-13-22)26-24(28)25-14-7-17-30-23-9-6-8-20(18-23)19-27-15-4-3-5-16-27/h6,8-13,18H,2-5,7,14-17,19H2,1H3,(H2,25,26,28)
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Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50405174
PNG
(CHEMBL30761)
Show SMILES Cc1nc[nH]c1CSCCNC(NCCCc1cnc[nH]1)=NC#N |w:21.23|
Show InChI InChI=1S/C15H22N8S/c1-12-14(23-11-21-12)8-24-6-5-19-15(20-9-16)18-4-2-3-13-7-17-10-22-13/h7,10-11H,2-6,8H2,1H3,(H,17,22)(H,21,23)(H2,18,19,20)
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n/an/an/a 575n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against H2 receptor in guinea pig.


J Med Chem 28: 1414-22 (1985)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406646
PNG
(CHEMBL311272)
Show SMILES Cc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1
Show InChI InChI=1S/C23H31N3O2/c1-19-9-11-21(12-10-19)25-23(27)24-13-6-16-28-22-8-5-7-20(17-22)18-26-14-3-2-4-15-26/h5,7-12,17H,2-4,6,13-16,18H2,1H3,(H2,24,25,27)
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n/an/an/a 631n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406668
PNG
(CHEMBL81520)
Show SMILES Clc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1
Show InChI InChI=1S/C22H28ClN3O2/c23-19-8-10-20(11-9-19)25-22(27)24-12-5-15-28-21-7-4-6-18(16-21)17-26-13-2-1-3-14-26/h4,6-11,16H,1-3,5,12-15,17H2,(H2,24,25,27)
UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 631n/an/an/an/an/a



Kyorin Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria.


J Med Chem 35: 2446-51 (1992)

More data for this
Ligand-Target Pair
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