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Compile Data Set for Download or QSAR

Found 883 hits with Last Name = 'sasaki' and Initial = 't'   
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


(Homo sapiens (Human))		BDBM50296171
PNG
(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1
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 1n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methylistamine from human histamine H3 receptor by cell-based assay

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50296171
PNG
(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1
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 2.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methylistamine from rat histamine H3 receptor by cell-based assay

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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 4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rhesus monkey histamine H3 receptor expressed in HEK293T cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)		BDBM50296171
PNG
(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1
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 5.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methylistamine from mouse histamine H3 receptor by cell-based assay

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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 6.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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 33n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in HEK293 cells coexpressed with CRE-beta-lactamase

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50067491
PNG
(CHEMBL3400663)
Show SMILES Cn1ccc2c3ccccc3n3c2c1cc(=O)c3=O
Show InChI InChI=1S/C15H10N2O2/c1-16-7-6-10-9-4-2-3-5-11(9)17-14(10)12(16)8-13(18)15(17)19/h2-8H,1H3
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 7.07E+3n/an/an/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Competitive inhibition of PTP1B (unknown origin) assessed as hydrolysis of para-nitrophenylphosphate by Lineweaver-Burk plot

Bioorg Med Chem Lett 25: 1979-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.014
BindingDB Entry DOI: 10.7270/Q23N252T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50067500
PNG
(5-Methoxycanthinone)
Show SMILES COc1cc2nccc3c4ccccc4n(c23)c1=O
Show InChI InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3
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 1.03E+4n/an/an/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of PTP1B (unknown origin) assessed as hydrolysis of para-nitrophenylphosphate by Lineweaver-Burk plot

Bioorg Med Chem Lett 25: 1979-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.014
BindingDB Entry DOI: 10.7270/Q23N252T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50067496
PNG
(CHEMBL3400666)
Show SMILES COc1ccc2c3ccn(C)c4cc(=O)c(=O)n(c2c1)c34
Show InChI InChI=1S/C16H12N2O3/c1-17-6-5-11-10-4-3-9(21-2)7-12(10)18-15(11)13(17)8-14(19)16(18)20/h3-8H,1-2H3
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 1.29E+4n/an/an/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of PTP1B (unknown origin) assessed as hydrolysis of para-nitrophenylphosphate by Lineweaver-Burk plot

Bioorg Med Chem Lett 25: 1979-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.014
BindingDB Entry DOI: 10.7270/Q23N252T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50327036
PNG
((1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)
Show SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
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 1.51E+4n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of PTP1B (unknown origin) using p-NPP as substrate by Lineweaver-Burk plot analysis

Bioorg Med Chem Lett 28: 1194-1197 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.052
BindingDB Entry DOI: 10.7270/Q20Z75V6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50067501
PNG
(CHEMBL3400667)
Show SMILES CC(=O)Oc1cc2nccc3c4ccccc4n(c23)c1=O
Show InChI InChI=1S/C16H10N2O3/c1-9(19)21-14-8-12-15-11(6-7-17-12)10-4-2-3-5-13(10)18(15)16(14)20/h2-8H,1H3
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 1.84E+4n/an/an/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of PTP1B (unknown origin) assessed as hydrolysis of para-nitrophenylphosphate by Lineweaver-Burk plot

Bioorg Med Chem Lett 25: 1979-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.014
BindingDB Entry DOI: 10.7270/Q23N252T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50067492
PNG
(CHEMBL3400664)
Show SMILES Cc1c2n(C)ccc3c4ccccc4n(c23)c(=O)c1=O
Show InChI InChI=1S/C16H12N2O2/c1-9-13-14-11(7-8-17(13)2)10-5-3-4-6-12(10)18(14)16(20)15(9)19/h3-8H,1-2H3
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 1.99E+4n/an/an/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of PTP1B (unknown origin) assessed as hydrolysis of para-nitrophenylphosphate by Lineweaver-Burk plot

Bioorg Med Chem Lett 25: 1979-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.014
BindingDB Entry DOI: 10.7270/Q23N252T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50067493
PNG
(CHEMBL3400665)
Show SMILES CCc1c2n(C)ccc3c4ccccc4n(c23)c(=O)c1=O
Show InChI InChI=1S/C17H14N2O2/c1-3-10-14-15-12(8-9-18(14)2)11-6-4-5-7-13(11)19(15)17(21)16(10)20/h4-9H,3H2,1-2H3
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 2.01E+4n/an/an/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of PTP1B (unknown origin) assessed as hydrolysis of para-nitrophenylphosphate by Lineweaver-Burk plot

Bioorg Med Chem Lett 25: 1979-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.014
BindingDB Entry DOI: 10.7270/Q23N252T
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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n/an/a 0.00200n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...

J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM50395730
PNG
(CHEMBL2164450)
Show SMILES Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)
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n/an/a 0.0250n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...

J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50512479
PNG
(CHEMBL4456440)
Show SMILES Cl.CN(C1CCOCC1)c1cc(nc2cc(nn12)-c1nc2ccccc2nc1C)N1CC[C@@H](F)C1 |r|
Show InChI InChI=1S/C25H28FN7O.ClH/c1-16-25(28-20-6-4-3-5-19(20)27-16)21-13-23-29-22(32-10-7-17(26)15-32)14-24(33(23)30-21)31(2)18-8-11-34-12-9-18;/h3-6,13-14,17-18H,7-12,15H2,1-2H3;1H/t17-;/m1./s1
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n/an/a 0.0610n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal FLAG-tagged PDE10A (1 to 90 residues) expressed in using African green monkey COS7 cells using [3H]cAMP or [3H]cGMP as...

Bioorg Med Chem 27: 3440-3450 (2019)


Article DOI: 10.1016/j.bmc.2019.06.021
BindingDB Entry DOI: 10.7270/Q2SB492B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM144390
PNG
(US8969376, 1.006)
Show SMILES Cc1nc2ccc(F)cc2nc1-c1cc2nc(cc(NCC(C)(C)O)n2n1)N1CC[C@@H](F)C1 |r|
Show InChI InChI=1S/C23H25F2N7O/c1-13-22(28-17-8-14(24)4-5-16(17)27-13)18-9-21-29-20(31-7-6-15(25)11-31)10-19(32(21)30-18)26-12-23(2,3)33/h4-5,8-10,15,26,33H,6-7,11-12H2,1-3H3/t15-/m1/s1
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n/an/a 0.0620n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal FLAG-tagged PDE10A (1 to 90 residues) expressed in using African green monkey COS7 cells using [3H]cAMP or [3H]cGMP as...

Bioorg Med Chem 27: 3440-3450 (2019)


Article DOI: 10.1016/j.bmc.2019.06.021
BindingDB Entry DOI: 10.7270/Q2SB492B
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296178
PNG
((+/-)-(S)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...)
Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H](C)C2)cc1 |r|
Show InChI InChI=1S/C25H33NO5S/c1-18-7-5-14-26(17-18)15-6-16-30-21-12-10-20(11-13-21)24-19(2)32(27,28)23-9-4-8-22(29-3)25(23)31-24/h4,8-13,18-19,24H,5-7,14-17H2,1-3H3/t18-,19?,24?/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296179
PNG
((+/-)-1-Cyclobutyl-4-[4-(8-methoxy-3-methyl-4,4-di...)
Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H31NO5S/c1-17-24(31-25-22(29-2)7-4-8-23(25)32(17,27)28)18-9-11-20(12-10-18)30-21-13-15-26(16-14-21)19-5-3-6-19/h4,7-12,17,19,21,24H,3,5-6,13-16H2,1-2H3
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n/an/a 0.160n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 0.177n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MMP-9 by fluorometric assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01215
BindingDB Entry DOI: 10.7270/Q2Q81HPF
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)		BDBM50395732
PNG
(CHEMBL2164462)
Show SMILES Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1
Show InChI InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)
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n/an/a 0.190n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...

J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296176
PNG
((+/-)-(R)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...)
Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C24H31NO5S/c1-17-7-5-14-25(17)15-6-16-29-20-12-10-19(11-13-20)23-18(2)31(26,27)22-9-4-8-21(28-3)24(22)30-23/h4,8-13,17-18,23H,5-7,14-16H2,1-3H3/t17-,18?,23?/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296174
PNG
((+/-)-1-{3-[4-(7-Methoxy-3-methyl-4,4-dioxo-3,4-di...)
Show SMILES COc1ccc2c(OC(C(C)S2(=O)=O)c2ccc(OCCCN3CCCC3)cc2)c1
Show InChI InChI=1S/C23H29NO5S/c1-17-23(29-21-16-20(27-2)10-11-22(21)30(17,25)26)18-6-8-19(9-7-18)28-15-5-14-24-12-3-4-13-24/h6-11,16-17,23H,3-5,12-15H2,1-2H3
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n/an/a 0.320n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296175
PNG
((+/-)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,4-di...)
Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H31NO5S/c1-18-23(30-24-21(28-2)8-6-9-22(24)31(18,26)27)19-10-12-20(13-11-19)29-17-7-16-25-14-4-3-5-15-25/h6,8-13,18,23H,3-5,7,14-17H2,1-2H3
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n/an/a 0.340n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296171
PNG
(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296173
PNG
((+/-)-1-{3-[4-(6-Methoxy-3-methyl-4,4-dioxo-3,4-di...)
Show SMILES COc1ccc2OC(C(C)S(=O)(=O)c2c1)c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C23H29NO5S/c1-17-23(29-21-11-10-20(27-2)16-22(21)30(17,25)26)18-6-8-19(9-7-18)28-15-5-14-24-12-3-4-13-24/h6-11,16-17,23H,3-5,12-15H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 0.422n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MMP-2 by fluorometric assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01215
BindingDB Entry DOI: 10.7270/Q2Q81HPF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296171
PNG
(1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1
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n/an/a 0.430n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296172
PNG
((+/-)-1-{3-[4-(5-Methoxy-3-methyl-4,4-dioxo-3,4-di...)
Show SMILES COc1cccc2OC(C(C)S(=O)(=O)c12)c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-21-8-5-7-20(27-2)23(21)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3
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n/an/a 0.440n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296188
PNG
(CHEMBL558248 | trans-1-{3-[4-(3-Methyl-4,4-dioxo-3...)
Show SMILES C[C@@H]1[C@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296181
PNG
((+/-)-1-{3-[4-(3-Methyl-4,4-dioxo-3,4-dihydro-2H-4...)
Show SMILES CC1C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296180
PNG
(1-{3-[4-((2R,3R)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...)
Show SMILES COc1cccc2c1O[C@@H]([C@@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m1/s1
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n/an/a 0.607n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262794
PNG
(2-Phenyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES O=c1n(-c2ccc(OCCCN3CCCC3)cc2)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C27H27N3O2/c31-27-24-11-4-5-12-25(24)28-26(21-9-2-1-3-10-21)30(27)22-13-15-23(16-14-22)32-20-8-19-29-17-6-7-18-29/h1-5,9-16H,6-8,17-20H2
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n/an/a 0.660n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM222178
PNG
(Rilpivirine)
Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+
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n/an/a 0.680n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase p66/p51 Y181C mutant expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed ...

Bioorg Med Chem Lett 29: 2182-2188 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.047
BindingDB Entry DOI: 10.7270/Q2BR8WKQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262792
PNG
(2-Propyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-8-23-25-22-10-4-3-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-18-7-17-26-15-5-6-16-26/h3-4,9-14H,2,5-8,15-18H2,1H3
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n/an/a 0.690n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262747
PNG
(2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]pro...)
Show SMILES C[C@H]1CCCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1 |r|
Show InChI InChI=1S/C24H29N3O2/c1-18-7-5-14-26(17-18)15-6-16-29-21-12-10-20(11-13-21)27-19(2)25-23-9-4-3-8-22(23)24(27)28/h3-4,8-13,18H,5-7,14-17H2,1-2H3/t18-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262793
PNG
(2-Isopropyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}ph...)
Show SMILES CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-18(2)23-25-22-9-4-3-8-21(22)24(28)27(23)19-10-12-20(13-11-19)29-17-7-16-26-14-5-6-15-26/h3-4,8-13,18H,5-7,14-17H2,1-2H3
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n/an/a 0.810n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296177
PNG
((+/-)-(S)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...)
Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@@H]2C)cc1 |r|
Show InChI InChI=1S/C24H31NO5S/c1-17-7-5-14-25(17)15-6-16-29-20-12-10-19(11-13-20)23-18(2)31(26,27)22-9-4-8-21(28-3)24(22)30-23/h4,8-13,17-18,23H,5-7,14-16H2,1-3H3/t17-,18?,23?/m0/s1
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n/an/a 0.820n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50296189
PNG
(1-{3-[4-(3-Methyl-4,4-dioxo-4H-4lambda*6*-benzo[1,...)
Show SMILES CC1=C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |t:1|
Show InChI InChI=1S/C22H25NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12H,4-6,13-16H2,1H3
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n/an/a 0.840n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...

Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262937
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cc(ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-21-15-17(23(24,25)26)5-10-20(21)22(30)29(16)18-6-8-19(9-7-18)31-14-4-13-28-11-2-3-12-28/h5-10,15H,2-4,11-14H2,1H3
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n/an/a 0.960n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262795
PNG
(2,5-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}p...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
Show InChI InChI=1S/C23H27N3O2/c1-17-7-5-8-21-22(17)23(27)26(18(2)24-21)19-9-11-20(12-10-19)28-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262838
PNG
(6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1
Show InChI InChI=1S/C23H27N3O3/c1-17-24-22-11-10-20(28-2)16-21(22)23(27)26(17)18-6-8-19(9-7-18)29-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM252685
PNG
(US9458176, 82)
Show SMILES CCOc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
Show InChI InChI=1S/C24H26F3N3O2/c1-5-31-21-12-17(6-7-19(21)24(25,26)27)23-29-22(18-10-14(2)28-15(3)11-18)20-8-9-32-16(4)13-30(20)23/h6-7,10-12,16H,5,8-9,13H2,1-4H3/t16-/m1/s1
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US Patent
n/an/a 1.10n/an/an/an/an/a25



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The frozen cell membrane fraction prepared as described above was thawed before use, and the resultant was diluted with a buffer for a binding assay ...

US Patent US9458176 (2016)


BindingDB Entry DOI: 10.7270/Q2PK0F3D
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)		BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...

J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))		BDBM50395735
PNG
(CHEMBL2164459)
Show SMILES CCC(=O)[Se]CC(CCCCCN)C(O)=O
Show InChI InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...

J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)		BDBM50395737
PNG
(CHEMBL2164457)
Show SMILES NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)
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n/an/a 1.10n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...

J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262835
PNG
(2,7-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}p...)
Show SMILES Cc1ccc2c(c1)nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O2/c1-17-6-11-21-22(16-17)24-18(2)26(23(21)27)19-7-9-20(10-8-19)28-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262837
PNG
(5-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
Show InChI InChI=1S/C23H27N3O3/c1-17-24-20-7-5-8-21(28-2)22(20)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262936
PNG
(5-Chloro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24ClN3O2/c1-16-24-20-7-4-6-19(23)21(20)22(27)26(16)17-8-10-18(11-9-17)28-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262887
PNG
(8-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-19(6-4-7-20(21)23)22(27)26(16)17-8-10-18(11-9-17)28-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells

J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
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