new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 695 hits with Last Name = 'bury' and Initial = 'mj'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50297306
PNG
(CHEMBL540982 | {2-[3-(4-Fluoro-benzyl)-benzo[b]thi...)
Show SMILES CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
Show InChI InChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50297304
PNG
(CHEMBL560741 | {2-[3-(4-Fluoro-benzyl)-1H-inden-2-...)
Show SMILES CN(C)CCC1=C(Cc2ccc(F)cc2)c2ccccc2C1 |c:5|
Show InChI InChI=1S/C20H22FN/c1-22(2)12-11-17-14-16-5-3-4-6-19(16)20(17)13-15-7-9-18(21)10-8-15/h3-10H,11-14H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213665
PNG
((S)-1-(3-(1-(4-(1H-tetrazol-5-yl)phenethylamino)pr...)
Show SMILES C[C@H](CNCCc1ccc(cc1)-c1nnn[nH]1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F |r|
Show InChI InChI=1S/C36H37F4N7O/c1-21-15-22(2)17-26(16-21)34-33(23(3)19-41-13-11-24-7-9-25(10-8-24)35-43-45-46-44-35)28-20-47(14-12-31(28)42-34)32(48)18-27-29(36(38,39)40)5-4-6-30(27)37/h4-10,15-17,23,41-42H,11-14,18-20H2,1-3H3,(H,43,44,45,46)/t23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213671
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(quinoxalin-...)
Show SMILES C[C@H](CNCCc1ccc2nccnc2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C37H37F4N5O/c1-22-15-23(2)17-26(16-22)36-35(24(3)20-42-11-9-25-7-8-32-33(18-25)44-13-12-43-32)28-21-46(14-10-31(28)45-36)34(47)19-27-29(37(39,40)41)5-4-6-30(27)38/h4-8,12-13,15-18,24,42,45H,9-11,14,19-21H2,1-3H3/t24-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50297310
PNG
((-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benz...)
Show SMILES C[C@H](c1c(CCN(C)C)oc2ccccc12)c1ccccn1 |r|
Show InChI InChI=1S/C19H22N2O/c1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h4-10,12,14H,11,13H2,1-3H3/t14-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213664
PNG
((S)-5-(2-(2-(2-(3,5-dimethylphenyl)-5-(2-(2-fluoro...)
Show SMILES C[C@H](CNCCc1ccc(=O)n(C)c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H38F4N4O2/c1-21-14-22(2)16-25(15-21)34-33(23(3)18-40-12-10-24-8-9-31(44)42(4)19-24)27-20-43(13-11-30(27)41-34)32(45)17-26-28(35(37,38)39)6-5-7-29(26)36/h5-9,14-16,19,23,40-41H,10-13,17-18,20H2,1-4H3/t23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297307
PNG
(CHEMBL564226 | R-dimethindene)
Show SMILES C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2|
Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213658
PNG
((S)-1-(3-(1-(2-(1H-benzo[d][1,2,3]triazol-5-yl)eth...)
Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H36F4N6O/c1-20-13-21(2)15-24(14-20)34-33(22(3)18-40-11-9-23-7-8-30-31(16-23)43-44-42-30)26-19-45(12-10-29(26)41-34)32(46)17-25-27(35(37,38)39)5-4-6-28(25)36/h4-8,13-16,22,40-41H,9-12,17-19H2,1-3H3,(H,42,43,44)/t22-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213659
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-y...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C34H36F4N4O/c1-21-15-22(2)17-25(16-21)33-32(23(3)19-40-13-9-24-7-11-39-12-8-24)27-20-42(14-10-30(27)41-33)31(43)18-26-28(34(36,37)38)5-4-6-29(26)35/h4-8,11-12,15-17,23,40-41H,9-10,13-14,18-20H2,1-3H3/t23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297304
PNG
(CHEMBL560741 | {2-[3-(4-Fluoro-benzyl)-1H-inden-2-...)
Show SMILES CN(C)CCC1=C(Cc2ccc(F)cc2)c2ccccc2C1 |c:5|
Show InChI InChI=1S/C20H22FN/c1-22(2)12-11-17-14-16-5-3-4-6-19(16)20(17)13-15-7-9-18(21)10-8-15/h3-10H,11-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213652
PNG
((S)-1-(3-(1-(2-(3H-[1,2,3]triazolo[4,5-b]pyridin-6...)
Show SMILES C[C@H](CNCCc1cnc2nn[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C34H35F4N7O/c1-19-11-20(2)13-23(12-19)32-31(21(3)16-39-9-7-22-14-29-33(40-17-22)43-44-42-29)25-18-45(10-8-28(25)41-32)30(46)15-24-26(34(36,37)38)5-4-6-27(24)35/h4-6,11-14,17,21,39,41H,7-10,15-16,18H2,1-3H3,(H,40,42,43,44)/t21-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50297305
PNG
(CHEMBL559251 | Dimethyl-[2-(3-pyrazin-2ylmethyl-1H...)
Show SMILES CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:5|
Show InChI InChI=1S/C18H21N3/c1-21(2)10-7-15-11-14-5-3-4-6-17(14)18(15)12-16-13-19-8-9-20-16/h3-6,8-9,13H,7,10-12H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213663
PNG
(1-(3-((S)-1-(2-(6-(1H-tetrazol-5-yl)pyridin-3-yl)e...)
Show SMILES C[C@H](CNCCc1ccc(nc1)-c1nnn[nH]1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H36F4N8O/c1-20-13-21(2)15-24(14-20)33-32(22(3)17-40-11-9-23-7-8-30(41-18-23)34-43-45-46-44-34)26-19-47(12-10-29(26)42-33)31(48)16-25-27(35(37,38)39)5-4-6-28(25)36/h4-8,13-15,18,22,40,42H,9-12,16-17,19H2,1-3H3,(H,43,44,45,46)/t22-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50315205
PNG
((R)-2-(6-fluoro-3-(1-(3-methoxypyrazin-2-yl)ethyl)...)
Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11|
Show InChI InChI=1S/C20H24FN3O/c1-13(19-20(25-4)23-9-8-22-19)18-14(7-10-24(2)3)11-15-12-16(21)5-6-17(15)18/h5-6,8-9,12-13H,7,10-11H2,1-4H3/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 20: 5874-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.117
BindingDB Entry DOI: 10.7270/Q26W9BDC
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213657
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(6-fluoro-1H...)
Show SMILES C[C@H](CNCCc1cc2[nH]nnc2cc1F)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H35F5N6O/c1-19-11-20(2)13-23(12-19)34-33(21(3)17-41-9-7-22-14-30-31(16-28(22)37)44-45-43-30)25-18-46(10-8-29(25)42-34)32(47)15-24-26(35(38,39)40)5-4-6-27(24)36/h4-6,11-14,16,21,41-42H,7-10,15,17-18H2,1-3H3,(H,43,44,45)/t21-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50314264
PNG
((-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]th...)
Show SMILES C[C@H](c1c(CCN2CCC2)sc2ccccc12)c1ccccn1 |r|
Show InChI InChI=1S/C20H22N2S/c1-15(17-8-4-5-11-21-17)20-16-7-2-3-9-18(16)23-19(20)10-14-22-12-6-13-22/h2-5,7-9,11,15H,6,10,12-14H2,1H3/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.730n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells assessed as blockade of potassium tail current by standard patch clamp analysis


Bioorg Med Chem Lett 20: 2316-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.134
BindingDB Entry DOI: 10.7270/Q2P55PG0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297310
PNG
((-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benz...)
Show SMILES C[C@H](c1c(CCN(C)C)oc2ccccc12)c1ccccn1 |r|
Show InChI InChI=1S/C19H22N2O/c1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h4-10,12,14H,11,13H2,1-3H3/t14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17461
PNG
(1,2,3-triazole analogue, 17 | 5-(4-iodophenyl)-1H-...)
Show SMILES Ic1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6IN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
1 -50.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17468
PNG
(1,2,3-triazole analogue, 24 | 5-(3,4-dibromophenyl...)
Show SMILES Brc1ccc(cc1Br)-c1c[nH]nn1
Show InChI InChI=1S/C8H5Br2N3/c9-6-2-1-5(3-7(6)10)8-4-11-13-12-8/h1-4H,(H,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1 -50.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213662
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(2-methyl-1H...)
Show SMILES C[C@H](CNCCc1ccc2nc(C)[nH]c2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C37H39F4N5O/c1-21-14-22(2)16-26(15-21)36-35(23(3)19-42-12-10-25-8-9-32-33(17-25)44-24(4)43-32)28-20-46(13-11-31(28)45-36)34(47)18-27-29(37(39,40)41)6-5-7-30(27)38/h5-9,14-17,23,42,45H,10-13,18-20H2,1-4H3,(H,43,44)/t23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297852
PNG
(2-(4-(1H-imidazol-1-yl)piperidin-1-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2ccnc2)cc1
Show InChI InChI=1S/C22H22FN5/c23-18-7-5-17(6-8-18)15-28-21-4-2-1-3-20(21)25-22(28)26-12-9-19(10-13-26)27-14-11-24-16-27/h1-8,11,14,16,19H,9-10,12-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297308
PNG
((-)-Dimethyl-{2-[3-((R)-1-pyrazin-2-yl-ethyl)-1H-i...)
Show SMILES C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1cnccn1 |r,c:2|
Show InChI InChI=1S/C19H23N3/c1-14(18-13-20-9-10-21-18)19-16(8-11-22(2)3)12-15-6-4-5-7-17(15)19/h4-7,9-10,13-14H,8,11-12H2,1-3H3/t14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213653
PNG
((S)-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C33H44N4O/c1-21-16-22(2)18-25(17-21)29-28(23(3)19-35-14-10-24-8-12-34-13-9-24)26-20-37(15-11-27(26)36-29)31(38)30-32(4,5)33(30,6)7/h8-9,12-13,16-18,23,30,35-36H,10-11,14-15,19-20H2,1-7H3/t23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297308
PNG
((-)-Dimethyl-{2-[3-((R)-1-pyrazin-2-yl-ethyl)-1H-i...)
Show SMILES C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1cnccn1 |r,c:2|
Show InChI InChI=1S/C19H23N3/c1-14(18-13-20-9-10-21-18)19-16(8-11-22(2)3)12-15-6-4-5-7-17(15)19/h4-7,9-10,13-14H,8,11-12H2,1-3H3/t14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 20: 5874-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.117
BindingDB Entry DOI: 10.7270/Q26W9BDC
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213650
PNG
(CHEMBL233341 | adamantan-1-yl-{2-(3,5-dimethyl-phe...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:40:31:38:34.35.36,THB:40:35:38:31.32.39,29:31:38:34.35.36,39:31:34:38.37.36,39:37:34:40.31.32|
Show InChI InChI=1S/C36H46N4O/c1-23-12-24(2)14-30(13-23)34-33(25(3)21-38-10-6-26-4-8-37-9-5-26)31-22-40(11-7-32(31)39-34)35(41)36-18-27-15-28(19-36)17-29(16-27)20-36/h4-5,8-9,12-14,25,27-29,38-39H,6-7,10-11,15-22H2,1-3H3/t25-,27?,28?,29?,36?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297863
PNG
(CHEMBL563451 | N,N-dimethyl-1-(1-(4-methylbenzyl)-...)
Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1
Show InChI InChI=1S/C22H28N4/c1-17-8-10-18(11-9-17)16-26-21-7-5-4-6-20(21)23-22(26)25-14-12-19(13-15-25)24(2)3/h4-11,19H,12-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213669
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-y...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C34H37F3N4O/c1-22-16-23(2)18-27(17-22)33-32(24(3)20-39-14-10-25-8-12-38-13-9-25)28-21-41(15-11-30(28)40-33)31(42)19-26-6-4-5-7-29(26)34(35,36)37/h4-9,12-13,16-18,24,39-40H,10-11,14-15,19-21H2,1-3H3/t24-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50315200
PNG
(2-(6-fluoro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl...)
Show SMILES CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1 |c:5|
Show InChI InChI=1S/C18H20FN3/c1-22(2)9-7-13-10-14-11-15(19)5-6-17(14)18(13)12-16-4-3-8-20-21-16/h3-6,8,11H,7,9-10,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 20: 5874-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.117
BindingDB Entry DOI: 10.7270/Q26W9BDC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50314275
PNG
((-)-(R)-2-(3-(1-(2-fluoropyridin-3-yl)ethyl)benzo[...)
Show SMILES C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1F |r|
Show InChI InChI=1S/C19H21FN2S/c1-13(14-8-6-11-21-19(14)20)18-15-7-4-5-9-16(15)23-17(18)10-12-22(2)3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting


Bioorg Med Chem Lett 20: 2316-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.134
BindingDB Entry DOI: 10.7270/Q2P55PG0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213670
PNG
((S)-7-(2-(2-(2-(3,5-dimethylphenyl)-5-(2-(2-fluoro...)
Show SMILES CCn1c(=O)[nH]c2cc(CCNC[C@@H](C)c3c4CN(CCc4[nH]c3-c3cc(C)cc(C)c3)C(=O)Cc3c(F)cccc3C(F)(F)F)ccc2c1=O
Show InChI InChI=1S/C39H41F4N5O3/c1-5-48-37(50)27-10-9-25(18-33(27)46-38(48)51)11-13-44-20-24(4)35-29-21-47(34(49)19-28-30(39(41,42)43)7-6-8-31(28)40)14-12-32(29)45-36(35)26-16-22(2)15-23(3)17-26/h6-10,15-18,24,44-45H,5,11-14,19-21H2,1-4H3,(H,46,51)/t24-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213666
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-y...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1ccccc1F
Show InChI InChI=1S/C33H37FN4O/c1-22-16-23(2)18-27(17-22)33-32(24(3)20-36-14-10-25-8-12-35-13-9-25)28-21-38(15-11-30(28)37-33)31(39)19-26-6-4-5-7-29(26)34/h4-9,12-13,16-18,24,36-37H,10-11,14-15,19-21H2,1-3H3/t24-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297864
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N,...)
Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C21H25FN4/c1-24(2)18-11-13-25(14-12-18)21-23-19-5-3-4-6-20(19)26(21)15-16-7-9-17(22)10-8-16/h3-10,18H,11-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213656
PNG
((S)-4-(2-(2-(2-(3,5-dimethylphenyl)-5-(2-(2-fluoro...)
Show SMILES C[C@H](CNCCc1ccc(cc1)C(O)=O)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C36H37F4N3O3/c1-21-15-22(2)17-26(16-21)34-33(23(3)19-41-13-11-24-7-9-25(10-8-24)35(45)46)28-20-43(14-12-31(28)42-34)32(44)18-27-29(36(38,39)40)5-4-6-30(27)37/h4-10,15-17,23,41-42H,11-14,18-20H2,1-3H3,(H,45,46)/t23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50297306
PNG
(CHEMBL540982 | {2-[3-(4-Fluoro-benzyl)-benzo[b]thi...)
Show SMILES CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
Show InChI InChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297859
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H29FN4O/c1-26(15-16-29-2)20-11-13-27(14-12-20)23-25-21-5-3-4-6-22(21)28(23)17-18-7-9-19(24)10-8-18/h3-10,20H,11-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297866
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES CNC1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H23FN4/c1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15/h2-9,17,22H,10-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297869
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C28H31FN4/c1-31(18-15-22-7-3-2-4-8-22)25-16-19-32(20-17-25)28-30-26-9-5-6-10-27(26)33(28)21-23-11-13-24(29)14-12-23/h2-14,25H,15-21H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297862
PNG
(1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)C)cc1
Show InChI InChI=1S/C22H28N4O/c1-24(2)18-12-14-25(15-13-18)22-23-20-6-4-5-7-21(20)26(22)16-17-8-10-19(27-3)11-9-17/h4-11,18H,12-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50297307
PNG
(CHEMBL564226 | R-dimethindene)
Show SMILES C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2|
Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213667
PNG
((S)-2-(2-chlorophenyl)-1-(2-(3,5-dimethylphenyl)-3...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C33H37ClN4O/c1-22-16-23(2)18-27(17-22)33-32(24(3)20-36-14-10-25-8-12-35-13-9-25)28-21-38(15-11-30(28)37-33)31(39)19-26-6-4-5-7-29(26)34/h4-9,12-13,16-18,24,36-37H,10-11,14-15,19-21H2,1-3H3/t24-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50315203
PNG
((R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl...)
Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11|
Show InChI InChI=1S/C21H27N3O/c1-14-6-7-18-17(12-14)13-16(8-11-24(3)4)19(18)15(2)20-21(25-5)23-10-9-22-20/h6-7,9-10,12,15H,8,11,13H2,1-5H3/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 20: 5874-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.117
BindingDB Entry DOI: 10.7270/Q26W9BDC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22877
PNG
(2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl...)
Show SMILES CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1
Show InChI InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50314282
PNG
((-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[...)
Show SMILES C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1F |r|
Show InChI InChI=1S/C19H21FN2S/c1-13(19-15(20)8-6-11-21-19)18-14-7-4-5-9-16(14)23-17(18)10-12-22(2)3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting


Bioorg Med Chem Lett 20: 2316-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.134
BindingDB Entry DOI: 10.7270/Q2P55PG0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297867
PNG
(CHEMBL558933 | N-cyclohexyl-1-(1-(4-fluorobenzyl)-...)
Show SMILES CN(C1CCCCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C26H33FN4/c1-29(22-7-3-2-4-8-22)23-15-17-30(18-16-23)26-28-24-9-5-6-10-25(24)31(26)19-20-11-13-21(27)14-12-20/h5-6,9-14,22-23H,2-4,7-8,15-19H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50314274
PNG
((-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo...)
Show SMILES COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r|
Show InChI InChI=1S/C20H24N2OS/c1-14(15-9-7-12-21-20(15)23-4)19-16-8-5-6-10-17(16)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting


Bioorg Med Chem Lett 20: 2316-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.134
BindingDB Entry DOI: 10.7270/Q2P55PG0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50314276
PNG
((-)-(S)-2-(3-(1-(2-chloropyridin-3-yl)ethyl)benzo[...)
Show SMILES C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1Cl |r|
Show InChI InChI=1S/C19H21ClN2S/c1-13(14-8-6-11-21-19(14)20)18-15-7-4-5-9-16(15)23-17(18)10-12-22(2)3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting


Bioorg Med Chem Lett 20: 2316-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.134
BindingDB Entry DOI: 10.7270/Q2P55PG0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297855
PNG
(CHEMBL559061 | N1-(1-(1-(4-fluorobenzyl)-1H-benzo[...)
Show SMILES CN(C)CCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C24H32FN5/c1-27(2)16-17-28(3)21-12-14-29(15-13-21)24-26-22-6-4-5-7-23(22)30(24)18-19-8-10-20(25)11-9-19/h4-11,21H,12-18H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17474
PNG
(1,2,3-triazole analogue, 30 | 4-methyl-2-(1H-1,2,3...)
Show SMILES Cc1ccnc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H8N4/c1-6-2-3-9-7(4-6)8-5-10-12-11-8/h2-5H,1H3,(H,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3 -48.2n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17460
PNG
(1,2,3-triazole analogue, 16 | 5-(4-bromophenyl)-1H...)
Show SMILES Brc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
3 -48.2n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297858
PNG
(2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl...)
Show SMILES CN(CCO)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C22H27FN4O/c1-25(14-15-28)19-10-12-26(13-11-19)22-24-20-4-2-3-5-21(20)27(22)16-17-6-8-18(23)9-7-17/h2-9,19,28H,10-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 695 total )  |  Next  |  Last  >>
Jump to: