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PubMed code 1673158

Compile data set for download or QSAR
Found 9 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))
BDBM50007538
PNG
(8-(2-Azetidin-1-yl-ethyl)-3-chloro-6-methyl-7,8-di...)
Show SMILES CN1C[C@@H](CCN2CCC2)Oc2ncc(Cl)cc2C1=S
Show InChI InChI=1S/C14H18ClN3OS/c1-17-9-11(3-6-18-4-2-5-18)19-13-12(14(17)20)7-10(15)8-16-13/h7-8,11H,2-6,9H2,1H3/t11-/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.260n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the histamine receptor in guinea pig cortex


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


(Cavia porcellus (domestic guinea pig))
BDBM50007542
PNG
(3-Chloro-8-(2-dimethylamino-ethyl)-6-methyl-7,8-di...)
Show SMILES CN(C)CC[C@@H]1CN(C)C(=S)c2cc(Cl)cnc2O1
Show InChI InChI=1S/C13H18ClN3OS/c1-16(2)5-4-10-8-17(3)13(19)11-6-9(14)7-15-12(11)18-10/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.90n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the histamine receptor in guinea pig cortex


Citation and Details
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
UniProtKB/SwissProt

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CHEMBL
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KEGG
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UniChem

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PubMed
n/an/a 8.80n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


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


(Cavia porcellus (domestic guinea pig))
BDBM50007536
PNG
(CHEMBL24517 | [3-(5-Chloro-pyridin-2-yl)-3-pyridin...)
Show SMILES CN(C)CCC(c1ccccn1)c1ccc(Cl)cn1
Show InChI InChI=1S/C15H18ClN3/c1-19(2)10-8-13(14-5-3-4-9-17-14)15-7-6-12(16)11-18-15/h3-7,9,11,13H,8,10H2,1-2H3
UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 24n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


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


(Cavia porcellus (domestic guinea pig))
BDBM50007539
PNG
(8-(2-Dimethylamino-ethyl)-6-methyl-7,8-dihydro-6H-...)
Show SMILES CN(C)CC[C@@H]1CN(C)C(=S)c2cccnc2O1
Show InChI InChI=1S/C13H19N3OS/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m1/s1
UniProtKB/SwissProt

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PubMed
n/an/a 30n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the histamine receptor in guinea pig cortex


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


(Cavia porcellus (domestic guinea pig))
BDBM50007540
PNG
(CHEMBL279907 | [3-(4-Chloro-phenyl)-3-(5-chloro-py...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cn1
Show InChI InChI=1S/C16H18Cl2N2/c1-20(2)10-9-15(12-3-5-13(17)6-4-12)16-8-7-14(18)11-19-16/h3-8,11,15H,9-10H2,1-2H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 430n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


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


(Cavia porcellus (domestic guinea pig))
BDBM50007535
PNG
(8-(2-Azetidin-1-yl-ethyl)-3-chloro-6-methyl-7,8-di...)
Show SMILES CN1C[C@H](CCN2CCC2)Oc2ncc(Cl)cc2C1=S
Show InChI InChI=1S/C14H18ClN3OS/c1-17-9-11(3-6-18-4-2-5-18)19-13-12(14(17)20)7-10(15)8-16-13/h7-8,11H,2-6,9H2,1H3/t11-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 870n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


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


(Cavia porcellus (domestic guinea pig))
BDBM50007541
PNG
(3-Chloro-8-(2-dimethylamino-ethyl)-6-methyl-7,8-di...)
Show SMILES CN(C)CC[C@H]1CN(C)C(=S)c2cc(Cl)cnc2O1
Show InChI InChI=1S/C13H18ClN3OS/c1-16(2)5-4-10-8-17(3)13(19)11-6-9(14)7-15-12(11)18-10/h6-7,10H,4-5,8H2,1-3H3/t10-/m0/s1
UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 1.19E+4n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


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


(Cavia porcellus (domestic guinea pig))
BDBM50007537
PNG
(8-(2-Dimethylamino-ethyl)-6-methyl-7,8-dihydro-6H-...)
Show SMILES CN(C)CC[C@H]1CN(C)C(=S)c2cccnc2O1
Show InChI InChI=1S/C13H19N3OS/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m0/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



A. H. Robins Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mepyramine binding to the Histamine H1 receptor in guinea pig cortex


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