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PubMed code 10215699

Compile data set for download or QSAR
Found 19 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
Hrh3 protein


(RAT)
BDBM50070214
PNG
(4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole | CHEMBL2...)
Show SMILES CC(C)(C)CCC#CCCc1cnc[nH]1
Show InChI InChI=1S/C13H20N2/c1-13(2,3)9-7-5-4-6-8-12-10-14-11-15-12/h10-11H,6-9H2,1-3H3,(H,14,15)
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0.830n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM50070220
PNG
(4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole | CHEMBL...)
Show SMILES C(CC1CCCC1)C#CCCc1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1(3-7-13-8-5-6-9-13)2-4-10-14-11-15-12-16-14/h11-13H,3-10H2,(H,15,16)
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0.950n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85407
PNG
(GT 2231)
Show SMILES N[C@@H](CC1CCCCC1)C=CCCc1cnc[nH]1 |r,w:10.11|
Show InChI InChI=1S/C15H25N3/c16-14(10-13-6-2-1-3-7-13)8-4-5-9-15-11-17-12-18-15/h4,8,11-14H,1-3,5-7,9-10,16H2,(H,17,18)/b8-4+/t14-/m1/s1
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1n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM50070211
PNG
(4-(6-Cyclohexyl-hex-3-ynyl)-1H-imidazole | CHEMBL1...)
Show SMILES C(CC1CCCCC1)C#CCCc1cnc[nH]1
Show InChI InChI=1S/C15H22N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h12-14H,3-11H2,(H,16,17)
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2.90n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM85405
PNG
(GT 2227 | GT 2228)
Show SMILES C(CC1CCCCC1)C=CCCc1cnc[nH]1 |w:9.10|
Show InChI InChI=1S/C15H24N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h1-2,12-14H,3-11H2,(H,16,17)/b2-1-
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3.20n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85412
PNG
(GT 2287)
Show SMILES C(CC#CCCc1cnc[nH]1)CC1CCCCC1
Show InChI InChI=1S/C16H24N2/c1(3-8-12-16-13-17-14-18-16)2-5-9-15-10-6-4-7-11-15/h13-15H,2,4-12H2,(H,17,18)
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3.40n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85405
PNG
(GT 2227 | GT 2228)
Show SMILES C(CC1CCCCC1)C=CCCc1cnc[nH]1 |w:9.10|
Show InChI InChI=1S/C15H24N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h1-2,12-14H,3-11H2,(H,16,17)/b2-1-
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4.20n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85402
PNG
(GT 2327)
Show SMILES C(Cc1cnc[nH]1)C=CCCc1ccccc1 |w:7.7|
Show InChI InChI=1S/C15H18N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h1-3,5-6,9-10,12-13H,4,7-8,11H2,(H,16,17)/b2-1-
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5.5n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85399
PNG
(GT 2148)
Show SMILES N[C@@H](CCc1ccccc1)C(=O)NCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C15H20N4O/c16-14(7-6-12-4-2-1-3-5-12)15(20)18-9-8-13-10-17-11-19-13/h1-5,10-11,14H,6-9,16H2,(H,17,19)(H,18,20)/t14-/m0/s1
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11n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85405
PNG
(GT 2227 | GT 2228)
Show SMILES C(CC1CCCCC1)C=CCCc1cnc[nH]1 |w:9.10|
Show InChI InChI=1S/C15H24N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h1-2,12-14H,3-11H2,(H,16,17)/b2-1-
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15.2n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(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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16n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85401
PNG
(GT 2140)
Show SMILES N[C@@H](CC1CCCCC1)C(=O)NCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C14H24N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h9-11,13H,1-8,15H2,(H,16,18)(H,17,19)/t13-/m0/s1
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31n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85406
PNG
(GT 2321)
Show SMILES C(CCCc1cnc[nH]1)CCC1CCCCC1
Show InChI InChI=1S/C15H26N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h12-14H,1-11H2,(H,16,17)
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75n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85403
PNG
(GT 2130)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m0/s1
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104n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85404
PNG
(GT 2146)
Show SMILES N[C@H](C(=O)NCCc1cnc[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C13H16N4O/c14-12(10-4-2-1-3-5-10)13(18)16-7-6-11-8-15-9-17-11/h1-5,8-9,12H,6-7,14H2,(H,15,17)(H,16,18)/t12-/m0/s1
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630n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85408
PNG
(GT 2288)
Show SMILES C(CC#Cc1cnc[nH]1)CC1CCCCC1
Show InChI InChI=1S/C14H20N2/c1-3-7-13(8-4-1)9-5-2-6-10-14-11-15-12-16-14/h11-13H,1-5,7-9H2,(H,15,16)
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1.03E+3n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85409
PNG
(GT 2142)
Show SMILES CN[C@@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C15H20N4O/c1-16-14(9-12-5-3-2-4-6-12)15(20)18-8-7-13-10-17-11-19-13/h2-6,10-11,14,16H,7-9H2,1H3,(H,17,19)(H,18,20)/t14-/m0/s1
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1.59E+3n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85400
PNG
(GT 2136)
Show SMILES N[C@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m1/s1
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2.81E+3n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM85405
PNG
(GT 2227 | GT 2228)
Show SMILES C(CC1CCCCC1)C=CCCc1cnc[nH]1 |w:9.10|
Show InChI InChI=1S/C15H24N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h1-2,12-14H,3-11H2,(H,16,17)/b2-1-
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4.47E+3n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%