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Compile Data Set for Download or QSAR

Found 1069 hits with Last Name = 'zoli' 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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50119791
PNG
(1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...)
Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
Show InChI InChI=1S/C20H35N2/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3/q+1/t20-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50143302
PNG
((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...)
Show SMILES CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
Show InChI InChI=1S/C22H39N2/c1-3-4-5-6-7-8-9-10-11-12-18-24-19-13-15-21(20-24)22-16-14-17-23(22)2/h13,15,19-20,22H,3-12,14,16-18H2,1-2H3/q+1/t22-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50028059
PNG
(CHEMBL3338866)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC
Show InChI InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec...


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321465
PNG
((6-(3-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4...)
Show SMILES Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321467
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenox...)
Show SMILES Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2
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1.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321503
PNG
((5-(3,4-dichlorophenoxy)pyridin-2-yl)(4-isopropyl-...)
Show SMILES CC(C)N1CCCN(CC1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1
Show InChI InChI=1S/C20H23Cl2N3O2/c1-14(2)24-8-3-9-25(11-10-24)20(26)19-7-5-16(13-23-19)27-15-4-6-17(21)18(22)12-15/h4-7,12-14H,3,8-11H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321466
PNG
(3-(5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyridi...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1
Show InChI InChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2
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1.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Orexin receptor 2


(Rattus norvegicus (Rat))
BDBM50097380
PNG
(CHEMBL3586432)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063920
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50063920
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321496
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(phenylthio)pyr...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Sc2ccccc2)nc1
Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2
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2.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321463
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenox...)
Show SMILES Fc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2
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2.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116299
PNG
(CHEMBL3612360)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/s2
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3.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321497
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(phenylthio)pyr...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Sc2ccccc2)cn1
Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)17-6-4-7-17)20-11-10-19(16-22-20)26-18-8-2-1-3-9-18/h1-3,8-11,16-17H,4-7,12-15H2
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3.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321468
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3-fluorophenox...)
Show SMILES Fc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C21H24FN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2
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4.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321498
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(2-fluorophenox...)
Show SMILES Fc1ccccc1Oc1ccc(nc1)C(=O)N1CCCN(CC1)C1CCC1
Show InChI InChI=1S/C21H24FN3O2/c22-18-7-1-2-8-20(18)27-17-9-10-19(23-15-17)21(26)25-12-4-11-24(13-14-25)16-5-3-6-16/h1-2,7-10,15-16H,3-6,11-14H2
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4.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321472
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2ccccc2)nc1
Show InChI InChI=1S/C21H25N3O2/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2
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4.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321469
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenyl...)
Show SMILES Fc1ccc(Sc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H24FN3OS/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2
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4.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321500
PNG
((5-(3-chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4...)
Show SMILES Clc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C21H24ClN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2
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4.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50412863
PNG
(CHEMBL359632 | JNJ-10397049)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1 |r|
Show InChI InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321501
PNG
((5-(4-chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4...)
Show SMILES Clc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H24ClN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2
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5.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321499
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(3-fluorophenox...)
Show SMILES Fc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C21H24FN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2
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5.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321488
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(4-(4-fluorophenox...)
Show SMILES Fc1ccc(Oc2ccnc(c2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-23-20(15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2
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5.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Orexin receptor 2


(Rattus norvegicus (Rat))
BDBM50097388
PNG
(CHEMBL3586426)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r|
Show InChI InChI=1/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321471
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3,4-dichloroph...)
Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-7-6-17(13-19(18)23)28-20-8-5-15(14-24-20)21(27)26-10-2-9-25(11-12-26)16-3-1-4-16/h5-8,13-14,16H,1-4,9-12H2
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7.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50097360
PNG
(CHEMBL3586440)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r|
Show InChI InChI=1/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50097388
PNG
(CHEMBL3586426)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r|
Show InChI InChI=1/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+
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9.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116300
PNG
(CHEMBL3612361)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C32H49N3O2.BrH/c1-34-21-13-15-31(34)28-14-12-23-35(26-28)22-11-9-7-5-3-2-4-6-8-10-20-33-25-30-19-17-27-16-18-29(36)24-32(27)37-30;/h12,14,16,18,23-24,26,30-31,33H,2-11,13,15,17,19-22,25H2,1H3;1H/t30?,31-;/s2
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9.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321507
PNG
((4-cyclopropyl-1,4-diazepan-1-yl)(6-phenoxypyridin...)
Show SMILES O=C(N1CCCN(CC1)C1CC1)c1ccc(Oc2ccccc2)nc1
Show InChI InChI=1S/C20H23N3O2/c24-20(23-12-4-11-22(13-14-23)17-8-9-17)16-7-10-19(21-15-16)25-18-5-2-1-3-6-18/h1-3,5-7,10,15,17H,4,8-9,11-14H2
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Orexin receptor 2


(Rattus norvegicus (Rat))
BDBM50092814
PNG
(CHEMBL3586436)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r|
Show InChI InChI=1/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321502
PNG
((4-cyclopropyl-1,4-diazepan-1-yl)(5-(3,4-dichlorop...)
Show SMILES Clc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CC2)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3O2/c21-17-6-4-15(12-18(17)22)27-16-5-7-19(23-13-16)20(26)25-9-1-8-24(10-11-25)14-2-3-14/h4-7,12-14H,1-3,8-11H2
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Orexin receptor 2


(Rattus norvegicus (Rat))
BDBM50092812
PNG
(CHEMBL3586433)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r|
Show InChI InChI=1/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50092813
PNG
(CHEMBL3586434)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r|
Show InChI InChI=1/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50321471
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3,4-dichloroph...)
Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-7-6-17(13-19(18)23)28-20-8-5-15(14-24-20)21(27)26-10-2-9-25(11-12-26)16-3-1-4-16/h5-8,13-14,16H,1-4,9-12H2
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat brain


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50092814
PNG
(CHEMBL3586436)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r|
Show InChI InChI=1/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50321466
PNG
(3-(5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyridi...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1
Show InChI InChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat brain


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103099
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1
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11n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321491
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-phenoxypyridin-...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1cncc(Oc2ccccc2)c1
Show InChI InChI=1S/C21H25N3O2/c25-21(24-11-5-10-23(12-13-24)18-6-4-7-18)17-14-20(16-22-15-17)26-19-8-2-1-3-9-19/h1-3,8-9,14-16,18H,4-7,10-13H2
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321508
PNG
(3-(5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyrid...)
Show SMILES O=C(N1CCCN(CC1)C1CC1)c1ccc(Oc2cccc(c2)C#N)nc1
Show InChI InChI=1S/C21H22N4O2/c22-14-16-3-1-4-19(13-16)27-20-8-5-17(15-23-20)21(26)25-10-2-9-24(11-12-25)18-6-7-18/h1,3-5,8,13,15,18H,2,6-7,9-12H2
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12n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50097380
PNG
(CHEMBL3586432)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Orexin receptor 2


(Rattus norvegicus (Rat))
BDBM50097360
PNG
(CHEMBL3586440)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r|
Show InChI InChI=1/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50321505
PNG
((6-(4-chlorophenoxy)pyridin-3-yl)(4-cyclopropyl-1,...)
Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CC2)cc1
Show InChI InChI=1S/C20H22ClN3O2/c21-16-3-7-18(8-4-16)26-19-9-2-15(14-22-19)20(25)24-11-1-10-23(12-13-24)17-5-6-17/h2-4,7-9,14,17H,1,5-6,10-13H2
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13n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Orexin receptor 2


(Rattus norvegicus (Rat))
BDBM50092813
PNG
(CHEMBL3586434)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r|
Show InChI InChI=1/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50116299
PNG
(CHEMBL3612360)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/s2
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50092812
PNG
(CHEMBL3586433)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r|
Show InChI InChI=1/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50321472
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2ccccc2)nc1
Show InChI InChI=1S/C21H25N3O2/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2
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15n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat brain


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50321465
PNG
((6-(3-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4...)
Show SMILES Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2
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15n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat brain


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103097
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O
Show InChI InChI=1S/C19H32N4O4S/c1-7-14(23(27)11-24)13(10-12(2)3)16(25)21-15(19(4,5)6)17(26)22-18-20-8-9-28-18/h8-9,11-15,27H,7,10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m1/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116199
PNG
(CHEMBL3612359)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C26H37N3O2.BrH/c1-28-15-7-9-25(28)22-8-6-17-29(20-22)16-5-3-2-4-14-27-19-24-13-11-21-10-12-23(30)18-26(21)31-24;/h6,8,10,12,17-18,20,24-25,27H,2-5,7,9,11,13-16,19H2,1H3;1H/t24?,25-;/s2
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
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