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PubMed code 1613748

Compile data set for download or QSAR
Found 8 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 H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406642
PNG
(CHEMBL72193)
Show SMILES Nc1ccc(cc1I)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N
Show InChI InChI=1S/C26H34IN7O2/c27-23-17-21(8-9-24(23)29)25(35)30-11-12-32-26(33-19-28)31-10-5-15-36-22-7-4-6-20(16-22)18-34-13-2-1-3-14-34/h4,6-9,16-17H,1-3,5,10-15,18,29H2,(H,30,35)(H2,31,32,33)
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PubMed
0.708n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]APT binding to histamine H2 receptor in guinea pig cerebral membranes.


J Med Chem 35: 2231-8 (1992)


Article DOI: 10.1021/jm00090a013
BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406643
PNG
(CHEMBL73994)
Show SMILES Ic1cccc(c1)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N
Show InChI InChI=1S/C26H33IN6O2/c27-23-9-5-8-22(18-23)25(34)29-12-13-31-26(32-20-28)30-11-6-16-35-24-10-4-7-21(17-24)19-33-14-2-1-3-15-33/h4-5,7-10,17-18H,1-3,6,11-16,19H2,(H,29,34)(H2,30,31,32)
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2.60n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes.


J Med Chem 35: 2231-8 (1992)


Article DOI: 10.1021/jm00090a013
BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50229612
PNG
(CHEMBL304608)
Show SMILES Ic1cccc(c1)C(=O)NCC\N=C(\NCCCCOc1cccc(CN2CCCCC2)c1)NC#N
Show InChI InChI=1S/C27H35IN6O2/c28-24-10-7-9-23(19-24)26(35)30-13-14-32-27(33-21-29)31-12-2-5-17-36-25-11-6-8-22(18-25)20-34-15-3-1-4-16-34/h6-11,18-19H,1-5,12-17,20H2,(H,30,35)(H2,31,32,33)
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5.20n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes.


J Med Chem 35: 2231-8 (1992)


Article DOI: 10.1021/jm00090a013
BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50229613
PNG
(ICI-125211 | TIOTIDINE | Tiotidine)
Show SMILES C\N=C(\NCCSCc1csc(N=C(N)N)n1)NC#N
Show InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
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5.60n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes.


J Med Chem 35: 2231-8 (1992)


Article DOI: 10.1021/jm00090a013
BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406645
PNG
(AMINOPOTENTIDINE)
Show SMILES Nc1ccc(cc1)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N
Show InChI InChI=1S/C26H35N7O2/c27-20-32-26(31-14-13-29-25(34)22-8-10-23(28)11-9-22)30-12-5-17-35-24-7-4-6-21(18-24)19-33-15-2-1-3-16-33/h4,6-11,18H,1-3,5,12-17,19,28H2,(H,29,34)(H2,30,31,32)
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9.80n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
muscarinic acetylcholine receptor M3-antagonistic activity on the isolated guinea pig ileum determined by Schild plot.


J Med Chem 35: 2231-8 (1992)


Article DOI: 10.1021/jm00090a013
BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406644
PNG
(CHEMBL307952)
Show SMILES Ic1cc(ccc1N=[N+]=[N-])C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N
Show InChI InChI=1S/C26H32IN9O2/c27-23-17-21(8-9-24(23)34-35-29)25(37)30-11-12-32-26(33-19-28)31-10-5-15-38-22-7-4-6-20(16-22)18-36-13-2-1-3-14-36/h4,6-9,16-17H,1-3,5,10-15,18H2,(H,30,37)(H2,31,32,33)
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12n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]APT binding to histamine H2 receptor in guinea pig cerebral membranes.


J Med Chem 35: 2231-8 (1992)


Article DOI: 10.1021/jm00090a013
BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50103506
PNG
(RANITIDINE | Ranitidine | Tritec | Zantac)
Show SMILES CNC(NCCSCc1ccc(CN(C)C)o1)=C[N+]([O-])=O
Show InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
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54n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]APT binding to histamine H2 receptor in guinea pig cerebral membranes.


J Med Chem 35: 2231-8 (1992)


Article DOI: 10.1021/jm00090a013
BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50103595
PNG
(Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...)
Show SMILES CN\C(NC#N)=N/CCSCc1nc[nH]c1C
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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302n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes.


J Med Chem 35: 2231-8 (1992)


Article DOI: 10.1021/jm00090a013
BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%