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PubMed code 1967317

Compile data set for download or QSAR
Found 12 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 H3 receptor


(Rattus norvegicus (rat))		BDBM22885
PNG
(3-[(2S)-1-(1H-imidazol-5-yl)propan-2-yl]-2-(2-{[(5...)
Show SMILES C[C@@H](Cc1cnc[nH]1)N=C(N)NCCSCc1[nH]cnc1C
Show InChI InChI=1S/C14H23N7S/c1-10(5-12-6-16-8-19-12)21-14(15)17-3-4-22-7-13-11(2)18-9-20-13/h6,8-10H,3-5,7H2,1-2H3,(H,16,19)(H,18,20)(H3,15,17,21)/t10-/m0/s1
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 40n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonistic activity at histamine H3 receptor in rat cerebral cortex and is represented as Ki

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Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM85411
PNG
(GT 2174)
Show SMILES O=C(CCCC1CCCCC1)NCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N3O/c19-15(17-10-9-14-11-16-12-18-14)8-4-7-13-5-2-1-3-6-13/h11-13H,1-10H2,(H,16,18)(H,17,19)
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 50.1n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonist activity against histamine H3 receptor and is represented as -log Ki.

Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM22886
PNG
(3-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-2-(2-{[(5...)
Show SMILES C[C@H](Cc1cnc[nH]1)N=C(N)NCCSCc1[nH]cnc1C
Show InChI InChI=1S/C14H23N7S/c1-10(5-12-6-16-8-19-12)21-14(15)17-3-4-22-7-13-11(2)18-9-20-13/h6,8-10H,3-5,7H2,1-2H3,(H,16,19)(H,18,20)(H3,15,17,21)/t10-/m1/s1
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 60n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonistic activity at histamine H3 receptor in rat cerebral cortex and is represented as Ki.

Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50406098
PNG
(CHEMBL12494)
Show SMILES O=C(CCCc1ccccc1)NCCc1cnc[nH]1
Show InChI InChI=1S/C15H19N3O/c19-15(17-10-9-14-11-16-12-18-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,16,18)(H,17,19)
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 79.4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonist activity against Histamine H3 receptor and represented as KB.

Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50406100
PNG
(CHEMBL12459)
Show SMILES O=C(CCCCc1ccccc1)NCCc1cnc[nH]1
Show InChI InChI=1S/C16H21N3O/c20-16(18-11-10-15-12-17-13-19-15)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,17,19)(H,18,20)
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 200n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonist activity against Histamine H3 receptor and represented as KB.

Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50406101
PNG
(CHEMBL12550)
Show SMILES O=C(CCc1ccccc1)NCCc1cnc[nH]1
Show InChI InChI=1S/C14H17N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-5,10-11H,6-9H2,(H,15,17)(H,16,18)
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 631n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonist activity against Histamine H3 receptor and represented as KB.

Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50406095
PNG
(CHEMBL275090)
Show SMILES C(CCc1ccccc1)CNCCc1cnc[nH]1
Show InChI InChI=1S/C15H21N3/c1-2-6-14(7-3-1)8-4-5-10-16-11-9-15-12-17-13-18-15/h1-3,6-7,12-13,16H,4-5,8-11H2,(H,17,18)
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 631n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonist activity against histamine H3 receptor and is represented as -log Ki.

Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50406096
PNG
(CHEMBL12025)
Show SMILES O=C(Cc1ccccc1)NCCc1cnc[nH]1
Show InChI InChI=1S/C13H15N3O/c17-13(8-11-4-2-1-3-5-11)15-7-6-12-9-14-10-16-12/h1-5,9-10H,6-8H2,(H,14,16)(H,15,17)
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 1.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonist activity against Histamine H3 receptor and represented as KB.

Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50406097
PNG
(CHEMBL12551)
Show SMILES O=C(CCC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1
Show InChI InChI=1S/C21H23N3O/c25-21(23-14-13-19-15-22-16-24-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,20H,11-14H2,(H,22,24)(H,23,25)
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 1.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonist activity against histamine H3 receptor and is represented as -log Ki.

Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50406099
PNG
(CHEMBL416338)
Show SMILES O=C(CCCc1cnc[nH]1)NCCc1cnc[nH]1
Show InChI InChI=1S/C12H17N5O/c18-12(3-1-2-10-6-13-8-16-10)15-5-4-11-7-14-9-17-11/h6-9H,1-5H2,(H,13,16)(H,14,17)(H,15,18)
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 1.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonist activity against histamine H3 receptor and is represented as -log Ki.

Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50406093
PNG
(CHEMBL276903)
Show SMILES O=C(CCCc1ccccn1)NCCc1cnc[nH]1
Show InChI InChI=1S/C14H18N4O/c19-14(17-9-7-13-10-15-11-18-13)6-3-5-12-4-1-2-8-16-12/h1-2,4,8,10-11H,3,5-7,9H2,(H,15,18)(H,17,19)
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 1.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for antagonist activity against Histamine H3 receptor and represented as KB.

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


(Cavia porcellus (domestic guinea pig))		BDBM50406094
PNG
(VUF-8406)
Show SMILES CSCCNC(NCCCc1cnc[nH]1)=NC#N
Show InChI InChI=1S/C11H18N6S/c1-18-6-5-15-11(16-8-12)14-4-2-3-10-7-13-9-17-10/h7,9H,2-6H2,1H3,(H,13,17)(H2,14,15,16)
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n/an/an/a 15.8n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Evaluated for activity against Histamine H2 receptor in guinea pig atrium and represented pA2

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Ligand-Target Pair
* indicates data uncertainty>20%