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PubMed code 1613748

Compile data set for download or QSAR
Found 7 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))
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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PubMed
n/an/an/a 2.24E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Histamine H1 receptor antagonistic activity on the isolated guinea pig ileum determined by Schild plot.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50406641
PNG
(CHEMBL70746)
Show SMILES Nc1c(I)cc(cc1I)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N
Show InChI InChI=1S/C26H33I2N7O2/c27-22-15-20(16-23(28)24(22)30)25(36)31-9-10-33-26(34-18-29)32-8-5-13-37-21-7-4-6-19(14-21)17-35-11-2-1-3-12-35/h4,6-7,14-16H,1-3,5,8-13,17,30H2,(H,31,36)(H2,32,33,34)
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
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PubMed
n/an/an/a 1.70E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
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
n/an/an/a 27.5n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity at a concentration of 1 uM on the isolated guinea pig right atrium.


Citation and Details
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)
UniProtKB/SwissProt

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PubMed
n/an/an/a 155n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity at a concentration of 1 uM on the isolated guinea pig right atrium.


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406641
PNG
(CHEMBL70746)
Show SMILES Nc1c(I)cc(cc1I)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N
Show InChI InChI=1S/C26H33I2N7O2/c27-22-15-20(16-23(28)24(22)30)25(36)31-9-10-33-26(34-18-29)32-8-5-13-37-21-7-4-6-19(14-21)17-35-11-2-1-3-12-35/h4,6-7,14-16H,1-3,5,8-13,17,30H2,(H,31,36)(H2,32,33,34)
UniProtKB/SwissProt

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PubMed
n/an/an/a 1.58E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Histamine H1 receptor antagonistic activity on the isolated guinea pig ileum determined by Schild plot.


Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406641
PNG
(CHEMBL70746)
Show SMILES Nc1c(I)cc(cc1I)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N
Show InChI InChI=1S/C26H33I2N7O2/c27-22-15-20(16-23(28)24(22)30)25(36)31-9-10-33-26(34-18-29)32-8-5-13-37-21-7-4-6-19(14-21)17-35-11-2-1-3-12-35/h4,6-7,14-16H,1-3,5,8-13,17,30H2,(H,31,36)(H2,32,33,34)
UniProtKB/SwissProt

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PubMed
n/an/an/a 16.2n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity at a concentration of 1 uM on the isolated guinea pig right atrium.


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 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)
UniProtKB/SwissProt

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Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 2.69E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Histamine H1 receptor antagonistic activity on the isolated guinea pig ileum determined by Schild plot.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%