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Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'senior' and Initial = 'm'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50386351
PNG
(CHEMBL2048589)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCCC(=C1)c1ccccn1 |c:24|
Show InChI InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,8,11,17,19H,1,4-7,9-10,12-16H2
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386346
PNG
(CHEMBL2048594)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1
Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386346
PNG
(CHEMBL2048594)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1
Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386364
PNG
(CHEMBL2048592)
Show SMILES FC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H31FN6S/c23-22(19-7-2-3-11-24-19)10-6-14-29(17-22)21-26-25-20(30-21)28-15-8-18(9-16-28)27-12-4-1-5-13-27/h2-3,7,11,18H,1,4-6,8-10,12-17H2
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386346
PNG
(CHEMBL2048594)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1
Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386351
PNG
(CHEMBL2048589)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCCC(=C1)c1ccccn1 |c:24|
Show InChI InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,8,11,17,19H,1,4-7,9-10,12-16H2
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386364
PNG
(CHEMBL2048592)
Show SMILES FC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H31FN6S/c23-22(19-7-2-3-11-24-19)10-6-14-29(17-22)21-26-25-20(30-21)28-15-8-18(9-16-28)27-12-4-1-5-13-27/h2-3,7,11,18H,1,4-6,8-10,12-17H2
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386347
PNG
(CHEMBL2048595)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1cnccn1
Show InChI InChI=1S/C20H29N7OS/c1-2-8-25(9-3-1)16-4-10-26(11-5-16)19-23-24-20(29-19)27-12-13-28-18(15-27)17-14-21-6-7-22-17/h6-7,14,16,18H,1-5,8-13,15H2
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386350
PNG
(CHEMBL2048590)
Show SMILES COC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1
Show InChI InChI=1S/C23H34N6OS/c1-30-23(20-8-3-4-12-24-20)11-7-15-29(18-23)22-26-25-21(31-22)28-16-9-19(10-17-28)27-13-5-2-6-14-27/h3-4,8,12,19H,2,5-7,9-11,13-18H2,1H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386346
PNG
(CHEMBL2048594)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1
Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386353
PNG
(CHEMBL2048587)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ccccn1 |c:23|
Show InChI InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,7-8,11,19H,1,4-6,9-10,12-17H2
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386352
PNG
(CHEMBL2048588)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ncccn1 |c:23|
Show InChI InChI=1S/C21H29N7S/c1-2-11-26(12-3-1)18-7-14-27(15-8-18)20-24-25-21(29-20)28-13-4-6-17(16-28)19-22-9-5-10-23-19/h5-6,9-10,18H,1-4,7-8,11-16H2
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12311
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
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14 -45.6n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12287
PNG
(SCH 491762 | tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C29H46N4O6/c1-28(2,3)39-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-18-20(29(18,4)5)22(33)25(36)31-19(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19?,20-,21-,22-/m0/s1
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15 -45.4n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386359
PNG
(CHEMBL2048581)
Show SMILES FC1(F)CCN(CC1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C17H27F2N5S/c18-17(19)6-12-24(13-7-17)16-21-20-15(25-16)23-10-4-14(5-11-23)22-8-2-1-3-9-22/h14H,1-13H2
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386347
PNG
(CHEMBL2048595)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1cnccn1
Show InChI InChI=1S/C20H29N7OS/c1-2-8-25(9-3-1)16-4-10-26(11-5-16)19-23-24-20(29-19)27-12-13-28-18(15-27)17-14-21-6-7-22-17/h6-7,14,16,18H,1-5,8-13,15H2
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386359
PNG
(CHEMBL2048581)
Show SMILES FC1(F)CCN(CC1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C17H27F2N5S/c18-17(19)6-12-24(13-7-17)16-21-20-15(25-16)23-10-4-14(5-11-23)22-8-2-1-3-9-22/h14H,1-13H2
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM17886
PNG
(3-{[(1S,5R)-3-{2-[(tert-butylcarbamoyl)amino]-3,3-...)
Show SMILES CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(Cl)Cl)C(C)(C)C |r|
Show InChI InChI=1S/C25H39Cl2N5O5/c1-23(2,3)18(30-22(37)31-24(4,5)6)21(36)32-11-13-15(25(13,26)27)16(32)20(35)29-14(17(33)19(28)34)10-12-8-7-9-12/h12-16,18H,7-11H2,1-6H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t13-,14?,15-,16?,18?/m0/s1
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19n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386362
PNG
(CHEMBL2048412)
Show SMILES O=C1N(CCCN1c1ccccc1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C22H30N6OS/c29-22-27(19-8-3-1-4-9-19)14-7-15-28(22)21-24-23-20(30-21)26-16-10-18(11-17-26)25-12-5-2-6-13-25/h1,3-4,8-9,18H,2,5-7,10-17H2
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386362
PNG
(CHEMBL2048412)
Show SMILES O=C1N(CCCN1c1ccccc1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C22H30N6OS/c29-22-27(19-8-3-1-4-9-19)14-7-15-28(22)21-24-23-20(30-21)26-16-10-18(11-17-26)25-12-5-2-6-13-25/h1,3-4,8-9,18H,2,5-7,10-17H2
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386363
PNG
(CHEMBL2048411)
Show SMILES O=C1N(CCN1c1nnc(s1)N1CCC(CC1)N1CCCCC1)C1CCCC1
Show InChI InChI=1S/C20H32N6OS/c27-20-25(17-6-2-3-7-17)14-15-26(20)19-22-21-18(28-19)24-12-8-16(9-13-24)23-10-4-1-5-11-23/h16-17H,1-15H2
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386346
PNG
(CHEMBL2048594)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1
Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386354
PNG
(CHEMBL2048586)
Show SMILES CC1CN(CC(C)O1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-14-12-23(13-15(2)24-14)18-20-19-17(25-18)22-10-6-16(7-11-22)21-8-4-3-5-9-21/h14-16H,3-13H2,1-2H3
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386357
PNG
(CHEMBL2048583)
Show SMILES COC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-24-16-6-5-11-23(14-16)18-20-19-17(25-18)22-12-7-15(8-13-22)21-9-3-2-4-10-21/h15-16H,2-14H2,1H3
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM17898
PNG
(Ketoamide inhibitor, 35 | N-{1-[(1R,5S)-2-[(1-carb...)
Show SMILES CC(C)C(NC(C)=O)C(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C29H47N5O6/c1-14(2)20(31-15(3)35)25(38)33-23(28(4,5)6)27(40)34-13-17-19(29(17,7)8)21(34)26(39)32-18(22(36)24(30)37)12-16-10-9-11-16/h14,16-21,23H,9-13H2,1-8H3,(H2,30,37)(H,31,35)(H,32,39)(H,33,38)/t17-,18?,19-,20?,21?,23?/m0/s1
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38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386352
PNG
(CHEMBL2048588)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ncccn1 |c:23|
Show InChI InChI=1S/C21H29N7S/c1-2-11-26(12-3-1)18-7-14-27(15-8-18)20-24-25-21(29-20)28-13-4-6-17(16-28)19-22-9-5-10-23-19/h5-6,9-10,18H,1-4,7-8,11-16H2
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44n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386357
PNG
(CHEMBL2048583)
Show SMILES COC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-24-16-6-5-11-23(14-16)18-20-19-17(25-18)22-12-7-15(8-13-22)21-9-3-2-4-10-21/h15-16H,2-14H2,1H3
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46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386356
PNG
(CHEMBL2048584)
Show SMILES OC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C17H29N5OS/c23-15-5-4-10-22(13-15)17-19-18-16(24-17)21-11-6-14(7-12-21)20-8-2-1-3-9-20/h14-15,23H,1-13H2
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46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50333504
PNG
(1-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-2-y...)
Show SMILES O=C(NC1CCCC1)Nc1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C18H30N6OS/c25-16(19-14-6-2-3-7-14)20-17-21-22-18(26-17)24-12-8-15(9-13-24)23-10-4-1-5-11-23/h14-15H,1-13H2,(H2,19,20,21,25)
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47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386353
PNG
(CHEMBL2048587)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ccccn1 |c:23|
Show InChI InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,7-8,11,19H,1,4-6,9-10,12-17H2
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49n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50333504
PNG
(1-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-2-y...)
Show SMILES O=C(NC1CCCC1)Nc1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C18H30N6OS/c25-16(19-14-6-2-3-7-14)20-17-21-22-18(26-17)24-12-8-15(9-13-24)23-10-4-1-5-11-23/h14-15H,1-13H2,(H2,19,20,21,25)
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49n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM17884
PNG
(3-{[(1R,5S)-3-{2-[(tert-butylcarbamoyl)amino]-3,3-...)
Show SMILES CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1(F)F)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C26H41F2N5O5/c1-23(2,3)18(31-22(38)32-24(4,5)6)21(37)33-11-13-15(25(13,7)8)16(33)20(36)30-14(17(34)19(29)35)9-12-10-26(12,27)28/h12-16,18H,9-11H2,1-8H3,(H2,29,35)(H,30,36)(H2,31,32,38)/t12?,13-,14?,15-,16?,18?/m0/s1
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386349
PNG
(CHEMBL2048591)
Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H32N6OS/c29-22(19-7-2-3-11-23-19)10-6-14-28(17-22)21-25-24-20(30-21)27-15-8-18(9-16-27)26-12-4-1-5-13-26/h2-3,7,11,18,29H,1,4-6,8-10,12-17H2
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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386354
PNG
(CHEMBL2048586)
Show SMILES CC1CN(CC(C)O1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-14-12-23(13-15(2)24-14)18-20-19-17(25-18)22-10-6-16(7-11-22)21-8-4-3-5-9-21/h14-16H,3-13H2,1-2H3
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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386363
PNG
(CHEMBL2048411)
Show SMILES O=C1N(CCN1c1nnc(s1)N1CCC(CC1)N1CCCCC1)C1CCCC1
Show InChI InChI=1S/C20H32N6OS/c27-20-25(17-6-2-3-7-17)14-15-26(20)19-22-21-18(28-19)24-12-8-16(9-13-24)23-10-4-1-5-11-23/h16-17H,1-15H2
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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM17875
PNG
(3-{[(1R,5S)-3-{2-[(tert-butylcarbamoyl)amino]-2-cy...)
Show SMILES CCCC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)NC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O |r|
Show InChI InChI=1S/C27H45N5O5/c1-7-11-17(21(33)22(28)34)29-23(35)20-18-16(27(18,5)6)14-32(20)24(36)19(15-12-9-8-10-13-15)30-25(37)31-26(2,3)4/h15-20H,7-14H2,1-6H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t16-,17?,18-,19?,20?/m0/s1
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54 -42.2n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386350
PNG
(CHEMBL2048590)
Show SMILES COC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1
Show InChI InChI=1S/C23H34N6OS/c1-30-23(20-8-3-4-12-24-20)11-7-15-29(18-23)22-26-25-21(31-22)28-16-9-19(10-17-28)27-13-5-2-6-14-27/h3-4,8,12,19H,2,5-7,9-11,13-18H2,1H3
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54n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386349
PNG
(CHEMBL2048591)
Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H32N6OS/c29-22(19-7-2-3-11-23-19)10-6-14-28(17-22)21-25-24-20(30-21)27-15-8-18(9-16-27)26-12-4-1-5-13-26/h2-3,7,11,18,29H,1,4-6,8-10,12-17H2
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55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386355
PNG
(CHEMBL2048585)
Show SMILES FC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C17H28FN5S/c18-14-5-4-10-23(13-14)17-20-19-16(24-17)22-11-6-15(7-12-22)21-8-2-1-3-9-21/h14-15H,1-13H2
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56n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12297
PNG
(1,1-Dimethylethyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C26H42N4O6/c1-24(2,3)19(29-23(35)36-25(4,5)6)22(34)30-12-14-16(26(14,7)8)17(30)21(33)28-15(11-13-9-10-13)18(31)20(27)32/h13-17,19H,9-12H2,1-8H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15?,16-,17-,19+/m0/s1
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57 -42.0n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM17896
PNG
(Ketoamide inhibitor, 33 | propan-2-yl N-{2-[(1R,5S...)
Show SMILES CC(C)OC(=O)NC(C1CCCCC1)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C27H42N4O6/c1-14(2)37-26(36)30-20(16-8-6-5-7-9-16)25(35)31-13-17-19(27(17,3)4)21(31)24(34)29-18(12-15-10-11-15)22(32)23(28)33/h14-21H,5-13H2,1-4H3,(H2,28,33)(H,29,34)(H,30,36)/t17-,18?,19-,20?,21?/m0/s1
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60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386360
PNG
(CHEMBL2048414)
Show SMILES FC1(F)CCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C16H25F2N5S/c17-16(18)6-11-23(12-16)15-20-19-14(24-15)22-9-4-13(5-10-22)21-7-2-1-3-8-21/h13H,1-12H2
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61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386360
PNG
(CHEMBL2048414)
Show SMILES FC1(F)CCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C16H25F2N5S/c17-16(18)6-11-23(12-16)15-20-19-14(24-15)22-9-4-13(5-10-22)21-7-2-1-3-8-21/h13H,1-12H2
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61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386355
PNG
(CHEMBL2048585)
Show SMILES FC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C17H28FN5S/c18-14-5-4-10-23(13-14)17-20-19-16(24-17)22-11-6-15(7-12-22)21-8-2-1-3-9-21/h14-15H,1-13H2
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66n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386346
PNG
(CHEMBL2048594)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1
Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2
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67n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386348
PNG
(CHEMBL2048593)
Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ncccn1
Show InChI InChI=1S/C21H31N7OS/c29-21(18-22-9-5-10-23-18)8-4-13-28(16-21)20-25-24-19(30-20)27-14-6-17(7-15-27)26-11-2-1-3-12-26/h5,9-10,17,29H,1-4,6-8,11-16H2
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67n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386356
PNG
(CHEMBL2048584)
Show SMILES OC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C17H29N5OS/c23-15-5-4-10-22(13-15)17-19-18-16(24-17)21-11-6-14(7-12-21)20-8-2-1-3-9-20/h14-15,23H,1-13H2
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68n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM17897
PNG
(Ketoamide inhibitor, 34 | N-{2-[(1R,5S)-2-[(1-carb...)
Show SMILES CC(C)C(NC(C)=O)C(=O)NC(C1CCCCC1)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
Show InChI InChI=1S/C30H47N5O6/c1-15(2)22(32-16(3)36)27(39)34-23(18-9-7-6-8-10-18)29(41)35-14-19-21(30(19,4)5)24(35)28(40)33-20(13-17-11-12-17)25(37)26(31)38/h15,17-24H,6-14H2,1-5H3,(H2,31,38)(H,32,36)(H,33,40)(H,34,39)/t19-,20?,21-,22?,23?,24?/m0/s1
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68n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50386358
PNG
(CHEMBL2048582)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C23H33N5S/c1-3-8-19(9-4-1)20-10-7-15-28(18-20)23-25-24-22(29-23)27-16-11-21(12-17-27)26-13-5-2-6-14-26/h1,3-4,8-9,20-21H,2,5-7,10-18H2
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75n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386348
PNG
(CHEMBL2048593)
Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ncccn1
Show InChI InChI=1S/C21H31N7OS/c29-21(18-22-9-5-10-23-18)8-4-13-28(16-21)20-25-24-19(30-20)27-14-6-17(7-15-27)26-11-2-1-3-12-26/h5,9-10,17,29H,1-4,6-8,11-16H2
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77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
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