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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'adem' and Initial = 'a'   
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))
BDBM50001752
PNG
(CHEMBL3238445)
Show SMILES Cc1nnc(-c2cccnc2)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C22H27N5O/c1-18-24-25-22(19-7-5-12-23-17-19)27(18)20-8-10-21(11-9-20)28-16-6-15-26-13-3-2-4-14-26/h5,7-12,17H,2-4,6,13-16H2,1H3
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0.240n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane after 90 mins by liquid scintillation counting ...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50001751
PNG
(CHEMBL3238444)
Show SMILES Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H26N4O/c1-15-19-20-16(2)22(15)17-7-9-18(10-8-17)23-14-6-13-21-11-4-3-5-12-21/h7-10H,3-6,11-14H2,1-2H3
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0.933n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane after 90 mins by liquid scintillation counting ...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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11n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane after 90 mins by liquid scintillation counting ...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50001753
PNG
(CHEMBL3238446)
Show SMILES C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O
Show InChI InChI=1S/C18H29N3O2/c1-15(18(19)22)20-14-16-6-8-17(9-7-16)23-13-5-12-21-10-3-2-4-11-21/h6-9,15,20H,2-5,10-14H2,1H3,(H2,19,22)/t15-/m0/s1
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43n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane after 90 mins by liquid scintillation counting ...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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63n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membrane co-transfected with Galphai2 and Gbeta1gamma2 after 60 mins by li...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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71n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane after 90 mins by liquid scintillation counting ...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50001756
PNG
(CHEMBL3238447)
Show SMILES O=C1NC(C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33N3O3/c34-28-30(25-11-4-1-5-12-25,26-13-6-2-7-14-26)31-29(35)33(28)23-24-15-17-27(18-16-24)36-22-10-21-32-19-8-3-9-20-32/h1-2,4-7,11-18H,3,8-10,19-23H2,(H,31,35)
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76n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane after 90 mins by liquid scintillation counting ...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50001755
PNG
(CHEMBL3233067)
Show SMILES O=C1NC(C(=O)N1CCCN1CCCCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c27-21-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)24-22(28)26(21)18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2,(H,24,28)
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562n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane after 90 mins by liquid scintillation counting ...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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1.15E+3n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50001756
PNG
(CHEMBL3238447)
Show SMILES O=C1NC(C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33N3O3/c34-28-30(25-11-4-1-5-12-25,26-13-6-2-7-14-26)31-29(35)33(28)23-24-15-17-27(18-16-24)36-22-10-21-32-19-8-3-9-20-32/h1-2,4-7,11-18H,3,8-10,19-23H2,(H,31,35)
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2.24E+3n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50001755
PNG
(CHEMBL3233067)
Show SMILES O=C1NC(C(=O)N1CCCN1CCCCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c27-21-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)24-22(28)26(21)18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2,(H,24,28)
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6.17E+3n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50001756
PNG
(CHEMBL3238447)
Show SMILES O=C1NC(C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33N3O3/c34-28-30(25-11-4-1-5-12-25,26-13-6-2-7-14-26)31-29(35)33(28)23-24-15-17-27(18-16-24)36-22-10-21-32-19-8-3-9-20-32/h1-2,4-7,11-18H,3,8-10,19-23H2,(H,31,35)
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9.33E+3n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membrane co-transfected with Galphai2 and Gbeta1gamma2 after 60 mins by li...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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<1.00E+4n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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<1.00E+4n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membrane co-transfected with Galphai2 and Gbeta1gamma2 after 60 mins by li...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50001752
PNG
(CHEMBL3238445)
Show SMILES Cc1nnc(-c2cccnc2)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C22H27N5O/c1-18-24-25-22(19-7-5-12-23-17-19)27(18)20-8-10-21(11-9-20)28-16-6-15-26-13-3-2-4-14-26/h5,7-12,17H,2-4,6,13-16H2,1H3
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1.05E+4n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50001751
PNG
(CHEMBL3238444)
Show SMILES Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H26N4O/c1-15-19-20-16(2)22(15)17-7-9-18(10-8-17)23-14-6-13-21-11-4-3-5-12-21/h7-10H,3-6,11-14H2,1-2H3
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2.04E+4n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membrane co-transfected with Galphai2 and Gbeta1gamma2 after 60 mins by li...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50001751
PNG
(CHEMBL3238444)
Show SMILES Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H26N4O/c1-15-19-20-16(2)22(15)17-7-9-18(10-8-17)23-14-6-13-21-11-4-3-5-12-21/h7-10H,3-6,11-14H2,1-2H3
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2.95E+4n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50001753
PNG
(CHEMBL3238446)
Show SMILES C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O
Show InChI InChI=1S/C18H29N3O2/c1-15(18(19)22)20-14-16-6-8-17(9-7-16)23-13-5-12-21-10-3-2-4-11-21/h6-9,15,20H,2-5,10-14H2,1H3,(H2,19,22)/t15-/m0/s1
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3.16E+4n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50001753
PNG
(CHEMBL3238446)
Show SMILES C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O
Show InChI InChI=1S/C18H29N3O2/c1-15(18(19)22)20-14-16-6-8-17(9-7-16)23-13-5-12-21-10-3-2-4-11-21/h6-9,15,20H,2-5,10-14H2,1H3,(H2,19,22)/t15-/m0/s1
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3.31E+5n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membrane co-transfected with Galphai2 and Gbeta1gamma2 after 60 mins by li...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50001755
PNG
(CHEMBL3233067)
Show SMILES O=C1NC(C(=O)N1CCCN1CCCCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27N3O2/c27-21-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)24-22(28)26(21)18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2,(H,24,28)
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4.90E+5n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membrane co-transfected with Galphai2 and Gbeta1gamma2 after 60 mins by li...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50001752
PNG
(CHEMBL3238445)
Show SMILES Cc1nnc(-c2cccnc2)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C22H27N5O/c1-18-24-25-22(19-7-5-12-23-17-19)27(18)20-8-10-21(11-9-20)28-16-6-15-26-13-3-2-4-14-26/h5,7-12,17H,2-4,6,13-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.41E+6n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membrane co-transfected with Galphai2 and Gbeta1gamma2 after 60 mins by li...


Eur J Med Chem 77: 269-79 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.014
BindingDB Entry DOI: 10.7270/Q29K4CR6
More data for this
Ligand-Target Pair