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PubMed code 19773162

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302559
PNG
(CHEMBL578049 | N-(cis-4-{[4-(Dimethylamino)-5-meth...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)ncc1C |r,wU:10.13,7.6,(28.7,-29.71,;27.37,-30.48,;26.03,-29.71,;27.37,-32.02,;28.71,-32.78,;28.71,-34.33,;30.05,-35.1,;31.38,-34.33,;32.71,-35.11,;34.04,-34.34,;34.05,-32.8,;32.71,-32.03,;31.37,-32.8,;35.38,-32.04,;36.72,-32.81,;36.71,-34.35,;38.05,-32.04,;38.04,-30.51,;39.37,-29.74,;40.72,-30.51,;42.05,-29.74,;40.71,-32.05,;42.04,-32.83,;39.38,-32.82,;27.38,-35.11,;26.04,-34.34,;26.05,-32.79,;24.71,-32.02,)|
Show InChI InChI=1S/C20H25F2N5O/c1-12-11-23-20(26-18(12)27(2)3)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)10-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+
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n/an/a 2n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302561
PNG
(CHEMBL568208 | N-((cis)-4-(4-(dimethylamino)-5,6-d...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc(C)c1C |r,wU:10.13,7.6,(31.14,-40.07,;29.81,-40.85,;28.48,-40.08,;29.82,-42.39,;31.15,-43.15,;31.16,-44.7,;32.49,-45.47,;33.82,-44.7,;35.16,-45.48,;36.48,-44.71,;36.49,-43.17,;35.16,-42.4,;33.82,-43.17,;37.83,-42.4,;39.16,-43.18,;39.15,-44.72,;40.49,-42.41,;40.49,-40.88,;41.82,-40.11,;43.16,-40.88,;44.49,-40.11,;43.15,-42.42,;44.48,-43.19,;41.82,-43.19,;29.82,-45.47,;28.49,-44.7,;27.15,-45.47,;28.49,-43.16,;27.15,-42.39,)|
Show InChI InChI=1S/C21H27F2N5O/c1-12-13(2)24-21(27-19(12)28(3)4)26-16-8-6-15(7-9-16)25-20(29)14-5-10-17(22)18(23)11-14/h5,10-11,15-16H,6-9H2,1-4H3,(H,25,29)(H,24,26,27)/t15-,16+
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n/an/a 2.30n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302552
PNG
(CHEMBL578166 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)n1 |r,wU:13.16,10.9,(10.5,-12.56,;9.17,-13.34,;7.83,-12.57,;9.17,-14.88,;7.85,-15.65,;7.84,-17.19,;6.51,-17.96,;9.18,-17.96,;10.51,-17.19,;11.85,-17.96,;13.18,-17.19,;14.51,-17.97,;15.84,-17.2,;15.85,-15.66,;14.51,-14.89,;13.17,-15.66,;17.18,-14.89,;18.52,-15.67,;18.51,-17.21,;19.85,-14.9,;19.84,-13.37,;21.17,-12.6,;22.52,-13.37,;23.85,-12.6,;22.51,-14.91,;23.84,-15.68,;21.18,-15.68,;10.51,-15.64,)|
Show InChI InChI=1S/C20H25F2N5O/c1-12-10-18(27(2)3)26-20(23-12)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)11-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302555
PNG
(CHEMBL567993 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|
Show InChI InChI=1S/C21H29N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-7,12-13,17-18H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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n/an/a 2.90n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302569
PNG
(3,5-dichloro-N-(((cis)-4-(4-(dimethylamino)-5-meth...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)ncc1C |r,wU:7.6,10.10,(22.25,-24.15,;20.92,-24.93,;19.59,-24.16,;20.93,-26.47,;22.26,-27.23,;22.27,-28.78,;23.6,-29.55,;24.93,-28.78,;26.27,-29.56,;27.59,-28.79,;27.6,-27.25,;28.94,-26.48,;30.27,-27.26,;31.6,-26.49,;31.61,-24.95,;32.93,-27.26,;34.26,-26.49,;35.6,-27.26,;36.94,-26.49,;35.6,-28.81,;34.27,-29.57,;34.26,-31.11,;32.94,-28.79,;26.27,-26.48,;24.93,-27.25,;20.93,-29.55,;19.6,-28.78,;19.6,-27.24,;18.26,-26.47,)|
Show InChI InChI=1S/C21H27Cl2N5O/c1-13-11-25-21(27-19(13)28(2)3)26-18-6-4-14(5-7-18)12-24-20(29)15-8-16(22)10-17(23)9-15/h8-11,14,18H,4-7,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,18+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302553
PNG
(3,4-dichloro-N-((cis)-4-(4-(dimethylamino)-6-methy...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)n1 |r,wU:13.16,10.9,(28.39,-11.98,;27.06,-12.75,;25.72,-11.99,;27.06,-14.29,;25.73,-15.07,;25.73,-16.61,;24.4,-17.38,;27.07,-17.38,;28.4,-16.61,;29.74,-17.38,;31.07,-16.6,;32.4,-17.38,;33.73,-16.62,;33.74,-15.08,;32.4,-14.31,;31.06,-15.07,;35.07,-14.31,;36.4,-15.08,;36.4,-16.62,;37.74,-14.32,;37.73,-12.78,;39.06,-12.01,;40.4,-12.79,;41.74,-12.02,;40.4,-14.33,;41.73,-15.1,;39.07,-15.09,;28.4,-15.06,)|
Show InChI InChI=1S/C20H25Cl2N5O/c1-12-10-18(27(2)3)26-20(23-12)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)11-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+
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n/an/a 4.80n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302568
PNG
(CHEMBL566075 | N-[(cis-4-{[4-(Dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
Show InChI InChI=1S/C23H27F6N5O/c1-13-11-31-21(33-19(13)34(2)3)32-18-6-4-14(5-7-18)12-30-20(35)15-8-16(22(24,25)26)10-17(9-15)23(27,28)29/h8-11,14,18H,4-7,12H2,1-3H3,(H,30,35)(H,31,32,33)/t14-,18+
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n/an/a 5n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50150715
PNG
(4''-Fluoro-biphenyl-4-carboxylic acid (6-dimethyla...)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(F)cc3)ccc2C1
Show InChI InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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n/an/a 5.5n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302557
PNG
(CHEMBL565551 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)ncc1C |r,wU:10.13,7.6,(-7.01,-30.72,;-8.34,-31.5,;-9.67,-30.73,;-8.33,-33.04,;-7,-33.8,;-6.99,-35.35,;-5.66,-36.12,;-4.33,-35.35,;-2.99,-36.13,;-1.67,-35.36,;-1.66,-33.82,;-2.99,-33.05,;-4.33,-33.82,;-.32,-33.05,;1.01,-33.83,;1,-35.37,;2.34,-33.06,;3.67,-33.84,;5,-33.07,;5.01,-31.53,;6.34,-30.76,;3.67,-30.76,;2.34,-31.53,;-8.33,-36.12,;-9.66,-35.35,;-9.66,-33.81,;-11,-33.04,)|
Show InChI InChI=1S/C20H26FN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302548
PNG
(3-chloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyr...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Cl)c2)n1 |r,wU:13.16,10.9,(-8.21,-3.25,;-9.54,-4.02,;-10.88,-3.25,;-9.54,-5.56,;-10.87,-6.33,;-10.87,-7.88,;-12.22,-8.64,;-9.54,-8.65,;-8.2,-7.87,;-6.86,-8.64,;-5.53,-7.87,;-4.2,-8.65,;-2.87,-7.88,;-2.87,-6.34,;-4.2,-5.57,;-5.54,-6.34,;-1.53,-5.58,;-.2,-6.35,;-.2,-7.89,;1.14,-5.58,;1.13,-4.05,;2.46,-3.28,;3.8,-4.05,;3.8,-5.59,;5.13,-6.37,;2.46,-6.36,;-8.2,-6.32,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-11-18(26(2)3)25-20(22-13)24-17-9-7-16(8-10-17)23-19(27)14-5-4-6-15(21)12-14/h4-6,11-12,16-17H,7-10H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 6.5n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 7.20n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302551
PNG
(CHEMBL567950 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES COc1cccc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(C)cc(n1)N(C)C |r,wU:11.11,14.18,(6.27,-16.52,;6.27,-14.98,;4.94,-14.2,;4.95,-12.66,;3.6,-11.89,;2.27,-12.66,;2.28,-14.19,;3.61,-14.97,;.95,-14.96,;.94,-16.5,;-.39,-14.19,;-1.72,-14.95,;-1.73,-16.49,;-3.06,-17.26,;-4.39,-16.48,;-4.4,-14.95,;-3.06,-14.18,;-5.72,-17.25,;-7.06,-16.48,;-8.39,-17.26,;-9.73,-16.49,;-11.06,-17.25,;-9.72,-14.94,;-8.4,-14.17,;-7.06,-14.93,;-8.4,-12.63,;-7.07,-11.86,;-9.74,-11.86,)|
Show InChI InChI=1S/C21H29N5O2/c1-14-12-19(26(2)3)25-21(22-14)24-17-10-8-16(9-11-17)23-20(27)15-6-5-7-18(13-15)28-4/h5-7,12-13,16-17H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 7.60n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302554
PNG
(CHEMBL583014 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r,wU:13.16,10.9,(-7.5,-21.66,;-8.83,-22.43,;-10.16,-21.66,;-8.82,-23.97,;-10.15,-24.74,;-10.15,-26.29,;-11.5,-27.05,;-8.82,-27.06,;-7.48,-26.28,;-6.15,-27.05,;-4.82,-26.28,;-3.48,-27.06,;-2.16,-26.29,;-2.15,-24.75,;-3.48,-23.98,;-4.82,-24.75,;-.81,-23.99,;.52,-24.76,;.51,-26.3,;1.85,-23.99,;3.18,-24.77,;4.51,-24,;4.52,-22.46,;3.18,-21.69,;1.85,-22.46,;3.17,-20.15,;4.51,-19.38,;1.84,-19.38,;4.66,-20.55,;5.84,-24.78,;5.84,-26.32,;7.18,-24.01,;4.75,-25.86,;-7.49,-24.73,)|
Show InChI InChI=1S/C22H25F6N5O/c1-12-8-18(33(2)3)32-20(29-12)31-17-6-4-16(5-7-17)30-19(34)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h8-11,16-17H,4-7H2,1-3H3,(H,30,34)(H,29,31,32)/t16-,17+
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n/an/a 8n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302546
PNG
(CHEMBL568162 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)n1 |r,wU:13.16,10.9,(11.48,6.15,;10.15,5.38,;8.81,6.14,;10.15,3.84,;8.83,3.06,;8.82,1.52,;7.49,.75,;10.16,.75,;11.49,1.52,;12.83,.75,;14.16,1.53,;15.49,.75,;16.82,1.51,;16.83,3.05,;15.49,3.82,;14.15,3.06,;18.16,3.82,;19.5,3.05,;19.49,1.51,;20.83,3.81,;20.82,5.35,;22.15,6.12,;23.5,5.34,;23.49,3.8,;24.82,3.03,;22.16,3.04,;11.49,3.07,)|
Show InChI InChI=1S/C21H29N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-15(2)13-19(25-21)26(3)4/h5-7,12-13,17-18H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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n/an/a 9.60n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 9.66n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302558
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-5-methylpyr...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)ncc1C |r,wU:10.13,7.6,(10.35,-30.66,;9.02,-31.44,;7.69,-30.67,;9.03,-32.98,;10.36,-33.74,;10.37,-35.29,;11.7,-36.06,;13.03,-35.29,;14.37,-36.07,;15.69,-35.3,;15.7,-33.76,;14.37,-32.99,;13.03,-33.76,;17.04,-32.99,;18.37,-33.77,;18.36,-35.31,;19.7,-33,;21.03,-33.78,;22.36,-33.01,;22.37,-31.47,;23.7,-30.7,;21.03,-30.7,;19.7,-31.47,;9.03,-36.06,;7.7,-35.29,;7.7,-33.75,;6.36,-32.98,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 10n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302556
PNG
(CHEMBL578170 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(C)cc2)ncc1C |r,wU:10.13,7.6,(30.97,-21.81,;29.64,-22.58,;28.3,-21.82,;29.64,-24.12,;30.98,-24.89,;30.98,-26.44,;32.32,-27.21,;33.65,-26.43,;34.98,-27.21,;36.31,-26.45,;36.32,-24.91,;34.98,-24.13,;33.64,-24.9,;37.65,-24.14,;38.98,-24.91,;38.98,-26.45,;40.32,-24.15,;41.64,-24.92,;42.98,-24.16,;42.98,-22.62,;44.32,-21.85,;41.64,-21.84,;40.31,-22.61,;29.65,-27.21,;28.31,-26.44,;28.31,-24.89,;26.98,-24.13,)|
Show InChI InChI=1S/C21H29N5O/c1-14-5-7-16(8-6-14)20(27)23-17-9-11-18(12-10-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-8,13,17-18H,9-12H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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n/an/a 13n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302547
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyr...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1 |r,wU:13.16,10.9,(29.59,5.32,;28.26,4.54,;26.92,5.31,;28.26,3,;26.93,2.23,;26.93,.69,;25.6,-.08,;28.26,-.08,;29.6,.69,;30.94,-.08,;32.27,.69,;33.6,-.09,;34.93,.68,;34.93,2.22,;33.6,2.99,;32.26,2.22,;36.27,2.99,;37.6,2.21,;37.6,.67,;38.94,2.98,;40.26,2.2,;41.6,2.97,;41.6,4.51,;42.94,5.28,;40.26,5.28,;38.93,4.51,;29.6,2.24,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 16n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 16.9n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302549
PNG
(CHEMBL568664 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)n1 |r,wU:13.16,10.9,(9.73,-3.31,;8.4,-4.08,;7.06,-3.32,;8.4,-5.62,;7.08,-6.39,;7.07,-7.94,;5.74,-8.71,;8.41,-8.71,;9.74,-7.94,;11.08,-8.7,;12.41,-7.93,;13.74,-8.71,;15.07,-7.95,;15.08,-6.4,;13.74,-5.63,;12.4,-6.4,;16.41,-5.64,;17.75,-6.41,;17.74,-7.95,;19.08,-5.64,;20.41,-6.42,;21.74,-5.66,;21.75,-4.11,;23.08,-3.34,;20.4,-3.34,;19.07,-4.11,;9.74,-6.39,)|
Show InChI InChI=1S/C20H26FN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 25n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302565
PNG
(CHEMBL577913 | N-(((cis)-4-(4-(dimethylamino)-5-me...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cccc(c3)C(F)(F)F)CC2)ncc1C |r,wU:7.6,10.10,(18.85,-4.51,;17.52,-5.28,;16.19,-4.51,;17.53,-6.82,;18.86,-7.58,;18.87,-9.13,;20.2,-9.9,;21.54,-9.13,;22.87,-9.91,;24.2,-9.14,;24.2,-7.6,;25.54,-6.84,;26.87,-7.61,;28.2,-6.84,;28.21,-5.3,;29.54,-7.61,;29.54,-9.15,;30.87,-9.92,;32.2,-9.16,;32.21,-7.62,;30.86,-6.84,;33.54,-6.85,;34.87,-7.62,;33.54,-5.31,;33.94,-8.34,;22.87,-6.83,;21.53,-7.6,;17.53,-9.91,;16.2,-9.14,;16.2,-7.59,;14.86,-6.82,)|
Show InChI InChI=1S/C22H28F3N5O/c1-14-12-27-21(29-19(14)30(2)3)28-18-9-7-15(8-10-18)13-26-20(31)16-5-4-6-17(11-16)22(23,24)25/h4-6,11-12,15,18H,7-10,13H2,1-3H3,(H,26,31)(H,27,28,29)/t15-,18+
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n/an/a 26n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50302555
PNG
(CHEMBL567993 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|
Show InChI InChI=1S/C21H29N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-7,12-13,17-18H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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n/an/a 31n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302570
PNG
(CHEMBL568649 | N-((cis)-4-(4-(ethyl(methyl)amino)-...)
Show SMILES CCN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)ncc1C |r,wU:11.14,8.7,(-4.71,-35.46,;-6.05,-34.69,;-7.38,-35.47,;-8.72,-34.7,;-7.38,-37.01,;-6.04,-37.77,;-6.04,-39.32,;-4.7,-40.09,;-3.37,-39.32,;-2.04,-40.09,;-.71,-39.33,;-.7,-37.79,;-2.04,-37.02,;-3.38,-37.78,;.63,-37.02,;1.96,-37.79,;1.96,-39.33,;3.3,-37.03,;3.29,-35.49,;4.62,-34.72,;5.96,-35.5,;7.3,-34.73,;5.96,-37.04,;7.29,-37.81,;4.63,-37.8,;-7.37,-40.09,;-8.71,-39.32,;-8.71,-37.78,;-10.04,-37.01,)|
Show InChI InChI=1S/C21H27F2N5O/c1-4-28(3)19-13(2)12-24-21(27-19)26-16-8-6-15(7-9-16)25-20(29)14-5-10-17(22)18(23)11-14/h5,10-12,15-16H,4,6-9H2,1-3H3,(H,25,29)(H,24,26,27)/t15-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302562
PNG
(CHEMBL568209 | N-((cis)-4-(4,6-bis(dimethylamino)p...)
Show SMILES CN(C)c1cc(nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)n1)N(C)C |r,wU:12.15,9.8,(-4.81,4.86,;-6.14,4.08,;-7.47,4.85,;-6.13,2.54,;-7.46,1.77,;-7.46,.23,;-6.13,-.54,;-4.79,.23,;-3.46,-.54,;-2.12,.23,;-.79,-.54,;.54,.22,;.54,1.76,;-.79,2.53,;-2.13,1.77,;1.88,2.53,;3.21,1.76,;3.21,.22,;4.54,2.52,;4.54,4.06,;5.87,4.83,;7.21,4.05,;8.54,4.82,;7.2,2.51,;8.54,1.74,;5.87,1.75,;-4.8,1.78,;-8.8,-.54,;-10.13,.23,;-8.8,-2.08,)|
Show InChI InChI=1S/C21H28F2N6O/c1-28(2)18-12-19(29(3)4)27-21(26-18)25-15-8-6-14(7-9-15)24-20(30)13-5-10-16(22)17(23)11-13/h5,10-12,14-15H,6-9H2,1-4H3,(H,24,30)(H,25,26,27)/t14-,15+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302567
PNG
(3,5-dichloro-N-(((cis)-4-(4-(dimethylamino)-6-meth...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)n1 |r,wU:10.9,13.13,(22.13,-14.95,;20.8,-15.73,;19.46,-14.96,;20.8,-17.27,;19.47,-18.04,;19.47,-19.58,;18.14,-20.35,;20.81,-20.35,;22.14,-19.58,;23.48,-20.35,;24.81,-19.58,;26.14,-20.35,;27.47,-19.59,;27.48,-18.05,;28.81,-17.28,;30.14,-18.05,;31.48,-17.29,;31.48,-15.75,;32.81,-18.06,;34.14,-17.29,;35.48,-18.06,;36.81,-17.29,;35.48,-19.6,;34.14,-20.37,;34.13,-21.91,;32.82,-19.59,;26.14,-17.28,;24.8,-18.04,;22.14,-18.03,)|
Show InChI InChI=1S/C21H27Cl2N5O/c1-13-8-19(28(2)3)27-21(25-13)26-18-6-4-14(5-7-18)12-24-20(29)15-9-16(22)11-17(23)10-15/h8-11,14,18H,4-7,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,18+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302566
PNG
(CHEMBL576665 | N-(((cis)-4-(4-(dimethylamino)-6-me...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(F)cc(F)c3)CC2)n1 |r,wU:10.9,13.13,(-4.65,-14.8,;-5.98,-15.57,;-7.32,-14.8,;-5.98,-17.11,;-7.31,-17.88,;-7.31,-19.43,;-8.64,-20.19,;-5.97,-20.2,;-4.64,-19.42,;-3.3,-20.19,;-1.97,-19.42,;-.64,-20.2,;.69,-19.43,;.7,-17.89,;2.03,-17.13,;3.36,-17.9,;4.7,-17.13,;4.7,-15.59,;6.03,-17.9,;7.36,-17.13,;8.7,-17.91,;10.04,-17.14,;8.7,-19.45,;7.36,-20.21,;7.36,-21.75,;6.04,-19.44,;-.64,-17.12,;-1.98,-17.89,;-4.64,-17.87,)|
Show InChI InChI=1S/C21H27F2N5O/c1-13-8-19(28(2)3)27-21(25-13)26-18-6-4-14(5-7-18)12-24-20(29)15-9-16(22)11-17(23)10-15/h8-11,14,18H,4-7,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,18+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302560
PNG
(CHEMBL577714 | N-((cis)-4-(4-(dimethylamino)-5-eth...)
Show SMILES CCc1cnc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc1N(C)C |r,wU:10.13,7.6,(7.26,-39.84,;7.26,-41.38,;8.59,-42.15,;8.59,-43.69,;9.92,-44.46,;11.26,-43.69,;12.6,-44.46,;13.93,-43.69,;15.26,-44.47,;16.59,-43.7,;16.59,-42.16,;15.26,-41.39,;13.92,-42.16,;17.93,-41.39,;19.26,-42.17,;19.26,-43.71,;20.6,-41.4,;20.59,-39.87,;21.92,-39.1,;23.26,-39.87,;24.6,-39.1,;23.26,-41.41,;24.59,-42.18,;21.92,-42.18,;11.26,-42.14,;9.92,-41.38,;9.92,-39.84,;11.25,-39.06,;8.58,-39.07,)|
Show InChI InChI=1S/C21H27F2N5O/c1-4-13-12-24-21(27-19(13)28(2)3)26-16-8-6-15(7-9-16)25-20(29)14-5-10-17(22)18(23)11-14/h5,10-12,15-16H,4,6-9H2,1-3H3,(H,25,29)(H,24,26,27)/t15-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302564
PNG
(CHEMBL577904 | N-(((cis)-4-(4-(dimethylamino)-5-me...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)ncc1C |r,wU:7.6,10.10,(-5.16,-5.44,;-6.49,-6.21,;-7.82,-5.45,;-6.48,-7.75,;-5.15,-8.52,;-5.14,-10.07,;-3.81,-10.84,;-2.47,-10.06,;-1.14,-10.84,;.19,-10.08,;.19,-8.54,;1.53,-7.77,;2.86,-8.54,;4.19,-7.77,;4.2,-6.23,;5.53,-8.55,;5.53,-10.08,;6.86,-10.86,;8.19,-10.09,;9.52,-10.87,;8.2,-8.55,;9.53,-7.78,;6.85,-7.78,;-1.14,-7.76,;-2.48,-8.53,;-6.48,-10.84,;-7.81,-10.07,;-7.81,-8.52,;-9.15,-7.75,)|
Show InChI InChI=1S/C21H27F2N5O/c1-13-11-25-21(27-19(13)28(2)3)26-16-7-4-14(5-8-16)12-24-20(29)15-6-9-17(22)18(23)10-15/h6,9-11,14,16H,4-5,7-8,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50302556
PNG
(CHEMBL578170 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(C)cc2)ncc1C |r,wU:10.13,7.6,(30.97,-21.81,;29.64,-22.58,;28.3,-21.82,;29.64,-24.12,;30.98,-24.89,;30.98,-26.44,;32.32,-27.21,;33.65,-26.43,;34.98,-27.21,;36.31,-26.45,;36.32,-24.91,;34.98,-24.13,;33.64,-24.9,;37.65,-24.14,;38.98,-24.91,;38.98,-26.45,;40.32,-24.15,;41.64,-24.92,;42.98,-24.16,;42.98,-22.62,;44.32,-21.85,;41.64,-21.84,;40.31,-22.61,;29.65,-27.21,;28.31,-26.44,;28.31,-24.89,;26.98,-24.13,)|
Show InChI InChI=1S/C21H29N5O/c1-14-5-7-16(8-6-14)20(27)23-17-9-11-18(12-10-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-8,13,17-18H,9-12H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50302553
PNG
(3,4-dichloro-N-((cis)-4-(4-(dimethylamino)-6-methy...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)n1 |r,wU:13.16,10.9,(28.39,-11.98,;27.06,-12.75,;25.72,-11.99,;27.06,-14.29,;25.73,-15.07,;25.73,-16.61,;24.4,-17.38,;27.07,-17.38,;28.4,-16.61,;29.74,-17.38,;31.07,-16.6,;32.4,-17.38,;33.73,-16.62,;33.74,-15.08,;32.4,-14.31,;31.06,-15.07,;35.07,-14.31,;36.4,-15.08,;36.4,-16.62,;37.74,-14.32,;37.73,-12.78,;39.06,-12.01,;40.4,-12.79,;41.74,-12.02,;40.4,-14.33,;41.73,-15.1,;39.07,-15.09,;28.4,-15.06,)|
Show InChI InChI=1S/C20H25Cl2N5O/c1-12-10-18(27(2)3)26-20(23-12)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)11-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50302553
PNG
(3,4-dichloro-N-((cis)-4-(4-(dimethylamino)-6-methy...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)n1 |r,wU:13.16,10.9,(28.39,-11.98,;27.06,-12.75,;25.72,-11.99,;27.06,-14.29,;25.73,-15.07,;25.73,-16.61,;24.4,-17.38,;27.07,-17.38,;28.4,-16.61,;29.74,-17.38,;31.07,-16.6,;32.4,-17.38,;33.73,-16.62,;33.74,-15.08,;32.4,-14.31,;31.06,-15.07,;35.07,-14.31,;36.4,-15.08,;36.4,-16.62,;37.74,-14.32,;37.73,-12.78,;39.06,-12.01,;40.4,-12.79,;41.74,-12.02,;40.4,-14.33,;41.73,-15.1,;39.07,-15.09,;28.4,-15.06,)|
Show InChI InChI=1S/C20H25Cl2N5O/c1-12-10-18(27(2)3)26-20(23-12)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)11-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50302547
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyr...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1 |r,wU:13.16,10.9,(29.59,5.32,;28.26,4.54,;26.92,5.31,;28.26,3,;26.93,2.23,;26.93,.69,;25.6,-.08,;28.26,-.08,;29.6,.69,;30.94,-.08,;32.27,.69,;33.6,-.09,;34.93,.68,;34.93,2.22,;33.6,2.99,;32.26,2.22,;36.27,2.99,;37.6,2.21,;37.6,.67,;38.94,2.98,;40.26,2.2,;41.6,2.97,;41.6,4.51,;42.94,5.28,;40.26,5.28,;38.93,4.51,;29.6,2.24,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50302556
PNG
(CHEMBL578170 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(C)cc2)ncc1C |r,wU:10.13,7.6,(30.97,-21.81,;29.64,-22.58,;28.3,-21.82,;29.64,-24.12,;30.98,-24.89,;30.98,-26.44,;32.32,-27.21,;33.65,-26.43,;34.98,-27.21,;36.31,-26.45,;36.32,-24.91,;34.98,-24.13,;33.64,-24.9,;37.65,-24.14,;38.98,-24.91,;38.98,-26.45,;40.32,-24.15,;41.64,-24.92,;42.98,-24.16,;42.98,-22.62,;44.32,-21.85,;41.64,-21.84,;40.31,-22.61,;29.65,-27.21,;28.31,-26.44,;28.31,-24.89,;26.98,-24.13,)|
Show InChI InChI=1S/C21H29N5O/c1-14-5-7-16(8-6-14)20(27)23-17-9-11-18(12-10-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-8,13,17-18H,9-12H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302571
PNG
(CHEMBL577259 | N-(((cis)-4-(5-methyl-4-(methylamin...)
Show SMILES CNc1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:9.9,6.5,(33.01,-43.64,;34.35,-44.41,;34.35,-45.95,;35.69,-46.71,;35.69,-48.26,;37.03,-49.03,;38.36,-48.26,;39.69,-49.04,;41.02,-48.27,;41.02,-46.73,;42.36,-45.97,;43.69,-46.74,;45.03,-45.97,;45.03,-44.43,;46.36,-46.74,;47.69,-45.97,;49.03,-46.75,;49.03,-48.29,;47.69,-49.05,;46.36,-48.28,;47.68,-50.59,;46.35,-51.36,;49.01,-51.37,;46.2,-50.19,;50.36,-45.98,;51.7,-46.75,;50.37,-44.44,;50.76,-47.47,;39.69,-45.96,;38.35,-46.73,;34.35,-49.04,;33.02,-48.27,;33.02,-46.72,;31.69,-45.95,)|
Show InChI InChI=1S/C22H25F6N5O/c1-12-10-31-20(33-18(12)29-2)32-17-5-3-13(4-6-17)11-30-19(34)14-7-15(21(23,24)25)9-16(8-14)22(26,27)28/h7-10,13,17H,3-6,11H2,1-2H3,(H,30,34)(H2,29,31,32,33)/t13-,17+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50302554
PNG
(CHEMBL583014 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r,wU:13.16,10.9,(-7.5,-21.66,;-8.83,-22.43,;-10.16,-21.66,;-8.82,-23.97,;-10.15,-24.74,;-10.15,-26.29,;-11.5,-27.05,;-8.82,-27.06,;-7.48,-26.28,;-6.15,-27.05,;-4.82,-26.28,;-3.48,-27.06,;-2.16,-26.29,;-2.15,-24.75,;-3.48,-23.98,;-4.82,-24.75,;-.81,-23.99,;.52,-24.76,;.51,-26.3,;1.85,-23.99,;3.18,-24.77,;4.51,-24,;4.52,-22.46,;3.18,-21.69,;1.85,-22.46,;3.17,-20.15,;4.51,-19.38,;1.84,-19.38,;4.66,-20.55,;5.84,-24.78,;5.84,-26.32,;7.18,-24.01,;4.75,-25.86,;-7.49,-24.73,)|
Show InChI InChI=1S/C22H25F6N5O/c1-12-8-18(33(2)3)32-20(29-12)31-17-6-4-16(5-7-17)30-19(34)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h8-11,16-17H,4-7H2,1-3H3,(H,30,34)(H,29,31,32)/t16-,17+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302563
PNG
(CHEMBL568458 | N-(((cis)-4-(4-(dimethylamino)-6-me...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)n1 |r,wU:10.9,13.13,(16.33,5.57,;15,4.8,;13.67,5.57,;15.01,3.26,;13.68,2.49,;13.68,.94,;12.34,.18,;15.01,.17,;16.35,.95,;17.68,.18,;19.02,.95,;20.35,.17,;21.68,.94,;21.68,2.48,;23.02,3.24,;24.35,2.47,;25.68,3.24,;25.69,4.78,;27.02,2.47,;27.02,.93,;28.35,.16,;29.68,.92,;31.01,.15,;29.69,2.46,;31.02,3.23,;28.34,3.24,;20.35,3.25,;19.01,2.48,;16.34,2.5,)|
Show InChI InChI=1S/C21H27F2N5O/c1-13-10-19(28(2)3)27-21(25-13)26-16-7-4-14(5-8-16)12-24-20(29)15-6-9-17(22)18(23)11-15/h6,9-11,14,16H,4-5,7-8,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50302564
PNG
(CHEMBL577904 | N-(((cis)-4-(4-(dimethylamino)-5-me...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)ncc1C |r,wU:7.6,10.10,(-5.16,-5.44,;-6.49,-6.21,;-7.82,-5.45,;-6.48,-7.75,;-5.15,-8.52,;-5.14,-10.07,;-3.81,-10.84,;-2.47,-10.06,;-1.14,-10.84,;.19,-10.08,;.19,-8.54,;1.53,-7.77,;2.86,-8.54,;4.19,-7.77,;4.2,-6.23,;5.53,-8.55,;5.53,-10.08,;6.86,-10.86,;8.19,-10.09,;9.52,-10.87,;8.2,-8.55,;9.53,-7.78,;6.85,-7.78,;-1.14,-7.76,;-2.48,-8.53,;-6.48,-10.84,;-7.81,-10.07,;-7.81,-8.52,;-9.15,-7.75,)|
Show InChI InChI=1S/C21H27F2N5O/c1-13-11-25-21(27-19(13)28(2)3)26-16-7-4-14(5-8-16)12-24-20(29)15-6-9-17(22)18(23)10-15/h6,9-11,14,16H,4-5,7-8,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302550
PNG
(CHEMBL578784 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(OC(F)(F)F)cc2)n1 |r,wU:13.16,10.9,(28.93,-3.01,;27.59,-3.78,;26.26,-3.01,;27.6,-5.32,;26.27,-6.09,;26.27,-7.63,;24.93,-8.4,;27.6,-8.41,;28.94,-7.63,;30.28,-8.4,;31.61,-7.63,;32.94,-8.41,;34.27,-7.64,;34.27,-6.1,;32.94,-5.33,;31.6,-6.1,;35.61,-5.33,;36.94,-6.11,;36.94,-7.65,;38.28,-5.34,;39.6,-6.12,;40.94,-5.35,;40.94,-3.81,;42.28,-3.04,;43.61,-3.81,;44.94,-3.04,;43.61,-5.35,;43.21,-2.32,;39.6,-3.04,;38.27,-3.81,;28.93,-6.08,)|
Show InChI InChI=1S/C21H26F3N5O2/c1-13-12-18(29(2)3)28-20(25-13)27-16-8-6-15(7-9-16)26-19(30)14-4-10-17(11-5-14)31-21(22,23)24/h4-5,10-12,15-16H,6-9H2,1-3H3,(H,26,30)(H,25,27,28)/t15-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50302557
PNG
(CHEMBL565551 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)ncc1C |r,wU:10.13,7.6,(-7.01,-30.72,;-8.34,-31.5,;-9.67,-30.73,;-8.33,-33.04,;-7,-33.8,;-6.99,-35.35,;-5.66,-36.12,;-4.33,-35.35,;-2.99,-36.13,;-1.67,-35.36,;-1.66,-33.82,;-2.99,-33.05,;-4.33,-33.82,;-.32,-33.05,;1.01,-33.83,;1,-35.37,;2.34,-33.06,;3.67,-33.84,;5,-33.07,;5.01,-31.53,;6.34,-30.76,;3.67,-30.76,;2.34,-31.53,;-8.33,-36.12,;-9.66,-35.35,;-9.66,-33.81,;-11,-33.04,)|
Show InChI InChI=1S/C20H26FN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50302558
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-5-methylpyr...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)ncc1C |r,wU:10.13,7.6,(10.35,-30.66,;9.02,-31.44,;7.69,-30.67,;9.03,-32.98,;10.36,-33.74,;10.37,-35.29,;11.7,-36.06,;13.03,-35.29,;14.37,-36.07,;15.69,-35.3,;15.7,-33.76,;14.37,-32.99,;13.03,-33.76,;17.04,-32.99,;18.37,-33.77,;18.36,-35.31,;19.7,-33,;21.03,-33.78,;22.36,-33.01,;22.37,-31.47,;23.7,-30.7,;21.03,-30.7,;19.7,-31.47,;9.03,-36.06,;7.7,-35.29,;7.7,-33.75,;6.36,-32.98,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50302568
PNG
(CHEMBL566075 | N-[(cis-4-{[4-(Dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
Show InChI InChI=1S/C23H27F6N5O/c1-13-11-31-21(33-19(13)34(2)3)32-18-6-4-14(5-7-18)12-30-20(35)15-8-16(22(24,25)26)10-17(9-15)23(27,28)29/h8-11,14,18H,4-7,12H2,1-3H3,(H,30,35)(H,31,32,33)/t14-,18+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50302564
PNG
(CHEMBL577904 | N-(((cis)-4-(4-(dimethylamino)-5-me...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)ncc1C |r,wU:7.6,10.10,(-5.16,-5.44,;-6.49,-6.21,;-7.82,-5.45,;-6.48,-7.75,;-5.15,-8.52,;-5.14,-10.07,;-3.81,-10.84,;-2.47,-10.06,;-1.14,-10.84,;.19,-10.08,;.19,-8.54,;1.53,-7.77,;2.86,-8.54,;4.19,-7.77,;4.2,-6.23,;5.53,-8.55,;5.53,-10.08,;6.86,-10.86,;8.19,-10.09,;9.52,-10.87,;8.2,-8.55,;9.53,-7.78,;6.85,-7.78,;-1.14,-7.76,;-2.48,-8.53,;-6.48,-10.84,;-7.81,-10.07,;-7.81,-8.52,;-9.15,-7.75,)|
Show InChI InChI=1S/C21H27F2N5O/c1-13-11-25-21(27-19(13)28(2)3)26-16-7-4-14(5-8-16)12-24-20(29)15-6-9-17(22)18(23)10-15/h6,9-11,14,16H,4-5,7-8,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,16+
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n/an/a 320n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50302553
PNG
(3,4-dichloro-N-((cis)-4-(4-(dimethylamino)-6-methy...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)n1 |r,wU:13.16,10.9,(28.39,-11.98,;27.06,-12.75,;25.72,-11.99,;27.06,-14.29,;25.73,-15.07,;25.73,-16.61,;24.4,-17.38,;27.07,-17.38,;28.4,-16.61,;29.74,-17.38,;31.07,-16.6,;32.4,-17.38,;33.73,-16.62,;33.74,-15.08,;32.4,-14.31,;31.06,-15.07,;35.07,-14.31,;36.4,-15.08,;36.4,-16.62,;37.74,-14.32,;37.73,-12.78,;39.06,-12.01,;40.4,-12.79,;41.74,-12.02,;40.4,-14.33,;41.73,-15.1,;39.07,-15.09,;28.4,-15.06,)|
Show InChI InChI=1S/C20H25Cl2N5O/c1-12-10-18(27(2)3)26-20(23-12)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)11-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50302557
PNG
(CHEMBL565551 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)ncc1C |r,wU:10.13,7.6,(-7.01,-30.72,;-8.34,-31.5,;-9.67,-30.73,;-8.33,-33.04,;-7,-33.8,;-6.99,-35.35,;-5.66,-36.12,;-4.33,-35.35,;-2.99,-36.13,;-1.67,-35.36,;-1.66,-33.82,;-2.99,-33.05,;-4.33,-33.82,;-.32,-33.05,;1.01,-33.83,;1,-35.37,;2.34,-33.06,;3.67,-33.84,;5,-33.07,;5.01,-31.53,;6.34,-30.76,;3.67,-30.76,;2.34,-31.53,;-8.33,-36.12,;-9.66,-35.35,;-9.66,-33.81,;-11,-33.04,)|
Show InChI InChI=1S/C20H26FN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 470n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50302555
PNG
(CHEMBL567993 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|
Show InChI InChI=1S/C21H29N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-7,12-13,17-18H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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n/an/a 580n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50302572
PNG
(CHEMBL568183 | N-(((cis)-4-(4-amino-5-methylpyrimi...)
Show SMILES Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)nc1N |r,wU:9.9,6.5,(-10.64,2.61,;-9.3,1.84,;-9.31,.3,;-7.97,-.47,;-6.64,.3,;-5.3,-.47,;-3.97,.3,;-2.64,-.47,;-1.31,.29,;-1.3,1.83,;.03,2.6,;1.37,1.83,;2.7,2.59,;2.7,4.13,;4.03,1.82,;5.36,2.59,;6.7,1.82,;6.7,.28,;5.36,-.49,;4.04,.29,;5.36,-2.03,;4.02,-2.79,;6.69,-2.81,;3.87,-1.62,;8.04,2.59,;9.37,1.82,;8.04,4.13,;8.43,1.1,;-2.64,2.6,;-3.98,1.84,;-6.64,1.85,;-7.98,2.61,;-7.98,4.15,)|
Show InChI InChI=1S/C21H23F6N5O/c1-11-9-30-19(32-17(11)28)31-16-4-2-12(3-5-16)10-29-18(33)13-6-14(20(22,23)24)8-15(7-13)21(25,26)27/h6-9,12,16H,2-5,10H2,1H3,(H,29,33)(H3,28,30,31,32)/t12-,16+
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50302547
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyr...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1 |r,wU:13.16,10.9,(29.59,5.32,;28.26,4.54,;26.92,5.31,;28.26,3,;26.93,2.23,;26.93,.69,;25.6,-.08,;28.26,-.08,;29.6,.69,;30.94,-.08,;32.27,.69,;33.6,-.09,;34.93,.68,;34.93,2.22,;33.6,2.99,;32.26,2.22,;36.27,2.99,;37.6,2.21,;37.6,.67,;38.94,2.98,;40.26,2.2,;41.6,2.97,;41.6,4.51,;42.94,5.28,;40.26,5.28,;38.93,4.51,;29.6,2.24,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 730n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50302558
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-5-methylpyr...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)ncc1C |r,wU:10.13,7.6,(10.35,-30.66,;9.02,-31.44,;7.69,-30.67,;9.03,-32.98,;10.36,-33.74,;10.37,-35.29,;11.7,-36.06,;13.03,-35.29,;14.37,-36.07,;15.69,-35.3,;15.7,-33.76,;14.37,-32.99,;13.03,-33.76,;17.04,-32.99,;18.37,-33.77,;18.36,-35.31,;19.7,-33,;21.03,-33.78,;22.36,-33.01,;22.37,-31.47,;23.7,-30.7,;21.03,-30.7,;19.7,-31.47,;9.03,-36.06,;7.7,-35.29,;7.7,-33.75,;6.36,-32.98,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 760n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50302547
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyr...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1 |r,wU:13.16,10.9,(29.59,5.32,;28.26,4.54,;26.92,5.31,;28.26,3,;26.93,2.23,;26.93,.69,;25.6,-.08,;28.26,-.08,;29.6,.69,;30.94,-.08,;32.27,.69,;33.6,-.09,;34.93,.68,;34.93,2.22,;33.6,2.99,;32.26,2.22,;36.27,2.99,;37.6,2.21,;37.6,.67,;38.94,2.98,;40.26,2.2,;41.6,2.97,;41.6,4.51,;42.94,5.28,;40.26,5.28,;38.93,4.51,;29.6,2.24,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 800n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50302557
PNG
(CHEMBL565551 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)ncc1C |r,wU:10.13,7.6,(-7.01,-30.72,;-8.34,-31.5,;-9.67,-30.73,;-8.33,-33.04,;-7,-33.8,;-6.99,-35.35,;-5.66,-36.12,;-4.33,-35.35,;-2.99,-36.13,;-1.67,-35.36,;-1.66,-33.82,;-2.99,-33.05,;-4.33,-33.82,;-.32,-33.05,;1.01,-33.83,;1,-35.37,;2.34,-33.06,;3.67,-33.84,;5,-33.07,;5.01,-31.53,;6.34,-30.76,;3.67,-30.76,;2.34,-31.53,;-8.33,-36.12,;-9.66,-35.35,;-9.66,-33.81,;-11,-33.04,)|
Show InChI InChI=1S/C20H26FN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 810n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50302564
PNG
(CHEMBL577904 | N-(((cis)-4-(4-(dimethylamino)-5-me...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)ncc1C |r,wU:7.6,10.10,(-5.16,-5.44,;-6.49,-6.21,;-7.82,-5.45,;-6.48,-7.75,;-5.15,-8.52,;-5.14,-10.07,;-3.81,-10.84,;-2.47,-10.06,;-1.14,-10.84,;.19,-10.08,;.19,-8.54,;1.53,-7.77,;2.86,-8.54,;4.19,-7.77,;4.2,-6.23,;5.53,-8.55,;5.53,-10.08,;6.86,-10.86,;8.19,-10.09,;9.52,-10.87,;8.2,-8.55,;9.53,-7.78,;6.85,-7.78,;-1.14,-7.76,;-2.48,-8.53,;-6.48,-10.84,;-7.81,-10.07,;-7.81,-8.52,;-9.15,-7.75,)|
Show InChI InChI=1S/C21H27F2N5O/c1-13-11-25-21(27-19(13)28(2)3)26-16-7-4-14(5-8-16)12-24-20(29)15-6-9-17(22)18(23)10-15/h6,9-11,14,16H,4-5,7-8,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,16+
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n/an/a 920n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50302554
PNG
(CHEMBL583014 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r,wU:13.16,10.9,(-7.5,-21.66,;-8.83,-22.43,;-10.16,-21.66,;-8.82,-23.97,;-10.15,-24.74,;-10.15,-26.29,;-11.5,-27.05,;-8.82,-27.06,;-7.48,-26.28,;-6.15,-27.05,;-4.82,-26.28,;-3.48,-27.06,;-2.16,-26.29,;-2.15,-24.75,;-3.48,-23.98,;-4.82,-24.75,;-.81,-23.99,;.52,-24.76,;.51,-26.3,;1.85,-23.99,;3.18,-24.77,;4.51,-24,;4.52,-22.46,;3.18,-21.69,;1.85,-22.46,;3.17,-20.15,;4.51,-19.38,;1.84,-19.38,;4.66,-20.55,;5.84,-24.78,;5.84,-26.32,;7.18,-24.01,;4.75,-25.86,;-7.49,-24.73,)|
Show InChI InChI=1S/C22H25F6N5O/c1-12-8-18(33(2)3)32-20(29-12)31-17-6-4-16(5-7-17)30-19(34)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h8-11,16-17H,4-7H2,1-3H3,(H,30,34)(H,29,31,32)/t16-,17+
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n/an/a 1.21E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50302554
PNG
(CHEMBL583014 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r,wU:13.16,10.9,(-7.5,-21.66,;-8.83,-22.43,;-10.16,-21.66,;-8.82,-23.97,;-10.15,-24.74,;-10.15,-26.29,;-11.5,-27.05,;-8.82,-27.06,;-7.48,-26.28,;-6.15,-27.05,;-4.82,-26.28,;-3.48,-27.06,;-2.16,-26.29,;-2.15,-24.75,;-3.48,-23.98,;-4.82,-24.75,;-.81,-23.99,;.52,-24.76,;.51,-26.3,;1.85,-23.99,;3.18,-24.77,;4.51,-24,;4.52,-22.46,;3.18,-21.69,;1.85,-22.46,;3.17,-20.15,;4.51,-19.38,;1.84,-19.38,;4.66,-20.55,;5.84,-24.78,;5.84,-26.32,;7.18,-24.01,;4.75,-25.86,;-7.49,-24.73,)|
Show InChI InChI=1S/C22H25F6N5O/c1-12-8-18(33(2)3)32-20(29-12)31-17-6-4-16(5-7-17)30-19(34)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h8-11,16-17H,4-7H2,1-3H3,(H,30,34)(H,29,31,32)/t16-,17+
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n/an/a 1.32E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50302558
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-5-methylpyr...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)ncc1C |r,wU:10.13,7.6,(10.35,-30.66,;9.02,-31.44,;7.69,-30.67,;9.03,-32.98,;10.36,-33.74,;10.37,-35.29,;11.7,-36.06,;13.03,-35.29,;14.37,-36.07,;15.69,-35.3,;15.7,-33.76,;14.37,-32.99,;13.03,-33.76,;17.04,-32.99,;18.37,-33.77,;18.36,-35.31,;19.7,-33,;21.03,-33.78,;22.36,-33.01,;22.37,-31.47,;23.7,-30.7,;21.03,-30.7,;19.7,-31.47,;9.03,-36.06,;7.7,-35.29,;7.7,-33.75,;6.36,-32.98,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 1.59E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50302555
PNG
(CHEMBL567993 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|
Show InChI InChI=1S/C21H29N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-7,12-13,17-18H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50302556
PNG
(CHEMBL578170 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(C)cc2)ncc1C |r,wU:10.13,7.6,(30.97,-21.81,;29.64,-22.58,;28.3,-21.82,;29.64,-24.12,;30.98,-24.89,;30.98,-26.44,;32.32,-27.21,;33.65,-26.43,;34.98,-27.21,;36.31,-26.45,;36.32,-24.91,;34.98,-24.13,;33.64,-24.9,;37.65,-24.14,;38.98,-24.91,;38.98,-26.45,;40.32,-24.15,;41.64,-24.92,;42.98,-24.16,;42.98,-22.62,;44.32,-21.85,;41.64,-21.84,;40.31,-22.61,;29.65,-27.21,;28.31,-26.44,;28.31,-24.89,;26.98,-24.13,)|
Show InChI InChI=1S/C21H29N5O/c1-14-5-7-16(8-6-14)20(27)23-17-9-11-18(12-10-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-8,13,17-18H,9-12H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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n/an/a 1.77E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50302555
PNG
(CHEMBL567993 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|
Show InChI InChI=1S/C21H29N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-7,12-13,17-18H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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n/an/a 2.79E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50302547
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyr...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1 |r,wU:13.16,10.9,(29.59,5.32,;28.26,4.54,;26.92,5.31,;28.26,3,;26.93,2.23,;26.93,.69,;25.6,-.08,;28.26,-.08,;29.6,.69,;30.94,-.08,;32.27,.69,;33.6,-.09,;34.93,.68,;34.93,2.22,;33.6,2.99,;32.26,2.22,;36.27,2.99,;37.6,2.21,;37.6,.67,;38.94,2.98,;40.26,2.2,;41.6,2.97,;41.6,4.51,;42.94,5.28,;40.26,5.28,;38.93,4.51,;29.6,2.24,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50302568
PNG
(CHEMBL566075 | N-[(cis-4-{[4-(Dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
Show InChI InChI=1S/C23H27F6N5O/c1-13-11-31-21(33-19(13)34(2)3)32-18-6-4-14(5-7-18)12-30-20(35)15-8-16(22(24,25)26)10-17(9-15)23(27,28)29/h8-11,14,18H,4-7,12H2,1-3H3,(H,30,35)(H,31,32,33)/t14-,18+
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n/an/a 3.10E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50302568
PNG
(CHEMBL566075 | N-[(cis-4-{[4-(Dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
Show InChI InChI=1S/C23H27F6N5O/c1-13-11-31-21(33-19(13)34(2)3)32-18-6-4-14(5-7-18)12-30-20(35)15-8-16(22(24,25)26)10-17(9-15)23(27,28)29/h8-11,14,18H,4-7,12H2,1-3H3,(H,30,35)(H,31,32,33)/t14-,18+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50302564
PNG
(CHEMBL577904 | N-(((cis)-4-(4-(dimethylamino)-5-me...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)ncc1C |r,wU:7.6,10.10,(-5.16,-5.44,;-6.49,-6.21,;-7.82,-5.45,;-6.48,-7.75,;-5.15,-8.52,;-5.14,-10.07,;-3.81,-10.84,;-2.47,-10.06,;-1.14,-10.84,;.19,-10.08,;.19,-8.54,;1.53,-7.77,;2.86,-8.54,;4.19,-7.77,;4.2,-6.23,;5.53,-8.55,;5.53,-10.08,;6.86,-10.86,;8.19,-10.09,;9.52,-10.87,;8.2,-8.55,;9.53,-7.78,;6.85,-7.78,;-1.14,-7.76,;-2.48,-8.53,;-6.48,-10.84,;-7.81,-10.07,;-7.81,-8.52,;-9.15,-7.75,)|
Show InChI InChI=1S/C21H27F2N5O/c1-13-11-25-21(27-19(13)28(2)3)26-16-7-4-14(5-8-16)12-24-20(29)15-6-9-17(22)18(23)10-15/h6,9-11,14,16H,4-5,7-8,12H2,1-3H3,(H,24,29)(H,25,26,27)/t14-,16+
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n/an/a 3.60E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50302568
PNG
(CHEMBL566075 | N-[(cis-4-{[4-(Dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
Show InChI InChI=1S/C23H27F6N5O/c1-13-11-31-21(33-19(13)34(2)3)32-18-6-4-14(5-7-18)12-30-20(35)15-8-16(22(24,25)26)10-17(9-15)23(27,28)29/h8-11,14,18H,4-7,12H2,1-3H3,(H,30,35)(H,31,32,33)/t14-,18+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50302557
PNG
(CHEMBL565551 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)ncc1C |r,wU:10.13,7.6,(-7.01,-30.72,;-8.34,-31.5,;-9.67,-30.73,;-8.33,-33.04,;-7,-33.8,;-6.99,-35.35,;-5.66,-36.12,;-4.33,-35.35,;-2.99,-36.13,;-1.67,-35.36,;-1.66,-33.82,;-2.99,-33.05,;-4.33,-33.82,;-.32,-33.05,;1.01,-33.83,;1,-35.37,;2.34,-33.06,;3.67,-33.84,;5,-33.07,;5.01,-31.53,;6.34,-30.76,;3.67,-30.76,;2.34,-31.53,;-8.33,-36.12,;-9.66,-35.35,;-9.66,-33.81,;-11,-33.04,)|
Show InChI InChI=1S/C20H26FN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a 7.50E+3n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50302556
PNG
(CHEMBL578170 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(C)cc2)ncc1C |r,wU:10.13,7.6,(30.97,-21.81,;29.64,-22.58,;28.3,-21.82,;29.64,-24.12,;30.98,-24.89,;30.98,-26.44,;32.32,-27.21,;33.65,-26.43,;34.98,-27.21,;36.31,-26.45,;36.32,-24.91,;34.98,-24.13,;33.64,-24.9,;37.65,-24.14,;38.98,-24.91,;38.98,-26.45,;40.32,-24.15,;41.64,-24.92,;42.98,-24.16,;42.98,-22.62,;44.32,-21.85,;41.64,-21.84,;40.31,-22.61,;29.65,-27.21,;28.31,-26.44,;28.31,-24.89,;26.98,-24.13,)|
Show InChI InChI=1S/C21H29N5O/c1-14-5-7-16(8-6-14)20(27)23-17-9-11-18(12-10-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-8,13,17-18H,9-12H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50302553
PNG
(3,4-dichloro-N-((cis)-4-(4-(dimethylamino)-6-methy...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)n1 |r,wU:13.16,10.9,(28.39,-11.98,;27.06,-12.75,;25.72,-11.99,;27.06,-14.29,;25.73,-15.07,;25.73,-16.61,;24.4,-17.38,;27.07,-17.38,;28.4,-16.61,;29.74,-17.38,;31.07,-16.6,;32.4,-17.38,;33.73,-16.62,;33.74,-15.08,;32.4,-14.31,;31.06,-15.07,;35.07,-14.31,;36.4,-15.08,;36.4,-16.62,;37.74,-14.32,;37.73,-12.78,;39.06,-12.01,;40.4,-12.79,;41.74,-12.02,;40.4,-14.33,;41.73,-15.1,;39.07,-15.09,;28.4,-15.06,)|
Show InChI InChI=1S/C20H25Cl2N5O/c1-12-10-18(27(2)3)26-20(23-12)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)11-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50302558
PNG
(4-chloro-N-((cis)-4-(4-(dimethylamino)-5-methylpyr...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)ncc1C |r,wU:10.13,7.6,(10.35,-30.66,;9.02,-31.44,;7.69,-30.67,;9.03,-32.98,;10.36,-33.74,;10.37,-35.29,;11.7,-36.06,;13.03,-35.29,;14.37,-36.07,;15.69,-35.3,;15.7,-33.76,;14.37,-32.99,;13.03,-33.76,;17.04,-32.99,;18.37,-33.77,;18.36,-35.31,;19.7,-33,;21.03,-33.78,;22.36,-33.01,;22.37,-31.47,;23.7,-30.7,;21.03,-30.7,;19.7,-31.47,;9.03,-36.06,;7.7,-35.29,;7.7,-33.75,;6.36,-32.98,)|
Show InChI InChI=1S/C20H26ClN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)/t16-,17+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50302554
PNG
(CHEMBL583014 | N-((cis)-4-(4-(dimethylamino)-6-met...)
Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r,wU:13.16,10.9,(-7.5,-21.66,;-8.83,-22.43,;-10.16,-21.66,;-8.82,-23.97,;-10.15,-24.74,;-10.15,-26.29,;-11.5,-27.05,;-8.82,-27.06,;-7.48,-26.28,;-6.15,-27.05,;-4.82,-26.28,;-3.48,-27.06,;-2.16,-26.29,;-2.15,-24.75,;-3.48,-23.98,;-4.82,-24.75,;-.81,-23.99,;.52,-24.76,;.51,-26.3,;1.85,-23.99,;3.18,-24.77,;4.51,-24,;4.52,-22.46,;3.18,-21.69,;1.85,-22.46,;3.17,-20.15,;4.51,-19.38,;1.84,-19.38,;4.66,-20.55,;5.84,-24.78,;5.84,-26.32,;7.18,-24.01,;4.75,-25.86,;-7.49,-24.73,)|
Show InChI InChI=1S/C22H25F6N5O/c1-12-8-18(33(2)3)32-20(29-12)31-17-6-4-16(5-7-17)30-19(34)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h8-11,16-17H,4-7H2,1-3H3,(H,30,34)(H,29,31,32)/t16-,17+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50302568
PNG
(CHEMBL566075 | N-[(cis-4-{[4-(Dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
Show InChI InChI=1S/C23H27F6N5O/c1-13-11-31-21(33-19(13)34(2)3)32-18-6-4-14(5-7-18)12-30-20(35)15-8-16(22(24,25)26)10-17(9-15)23(27,28)29/h8-11,14,18H,4-7,12H2,1-3H3,(H,30,35)(H,31,32,33)/t14-,18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor

Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%