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USPatent US9181275

Compile data set for download or QSAR
Found 4 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))		BDBM50434335
PNG
(CHEMBL2386729 | US9181275, 3)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=C(C)N2Cc3ccccc3CN=C2S1 |r,c:18,31|
Show InChI InChI=1S/C26H31N3OS/c1-19-7-5-14-28(19)15-6-16-30-24-12-10-21(11-13-24)25-20(2)29-18-23-9-4-3-8-22(23)17-27-26(29)31-25/h3-4,8-13,19H,5-7,14-18H2,1-2H3/t19-/m1/s1
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US Patent
 0.0200 -61.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...

US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50434337
PNG
(CHEMBL2386727 | US9181275, 1)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCC[C@H]2CO)cc1 |r,t:1,4|
Show InChI InChI=1S/C26H31N3O2S/c1-19-25(32-26-27-16-21-6-2-3-7-22(21)17-29(19)26)20-9-11-24(12-10-20)31-15-5-14-28-13-4-8-23(28)18-30/h2-3,6-7,9-12,23,30H,4-5,8,13-18H2,1H3/t23-/m0/s1
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US Patent
 0.0320 -59.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...

US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50434336
PNG
(CHEMBL2386728 | US9181275, 2)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCCCC2)cc1 |t:1,4|
Show InChI InChI=1S/C26H31N3OS/c1-20-25(31-26-27-18-22-8-3-4-9-23(22)19-29(20)26)21-10-12-24(13-11-21)30-17-7-16-28-14-5-2-6-15-28/h3-4,8-13H,2,5-7,14-19H2,1H3
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US Patent
 0.0500 -58.8n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...

US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50434334
PNG
(CHEMBL2386730 | US9181275, 4)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCOCC2)cc1 |t:1,4|
Show InChI InChI=1S/C25H29N3O2S/c1-19-24(31-25-26-17-21-5-2-3-6-22(21)18-28(19)25)20-7-9-23(10-8-20)30-14-4-11-27-12-15-29-16-13-27/h2-3,5-10H,4,11-18H2,1H3
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US Patent
 0.324 -54.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...

US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%