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Compile Data Set for Download or QSAR

Found 535 hits with Last Name = 'lowe' and Initial = 'db'   
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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092989
PNG
(1-[1-(4-Benzenesulfonyl-phenyl)-ethyl]-4-cyclohexy...)
Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H32N2O2S/c1-20(25-16-18-26(19-17-25)22-8-4-2-5-9-22)21-12-14-24(15-13-21)29(27,28)23-10-6-3-7-11-23/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222885
PNG
(6-(4-fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)...)
Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 |w:7.7|
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3
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0.470n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092984
PNG
(1-{1-[4-(4-Chloro-benzenesulfonyl)-phenyl]-ethyl}-...)
Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H31ClN2O2S/c1-19(26-15-17-27(18-16-26)22-5-3-2-4-6-22)20-7-11-23(12-8-20)30(28,29)24-13-9-21(25)10-14-24/h7-14,19,22H,2-6,15-18H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092996
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O3S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092995
PNG
(1-Cyclohexyl-4-{1-[4-(toluene-4-sulfonyl)-phenyl]-...)
Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H34N2O2S/c1-20-8-12-24(13-9-20)30(28,29)25-14-10-22(11-15-25)21(2)26-16-18-27(19-17-26)23-6-4-3-5-7-23/h8-15,21,23H,3-7,16-19H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
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0.860n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222875
PNG
(6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidi...)
Show SMILES Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1 |w:27.30|
Show InChI InChI=1S/C27H26FN3O2/c1-18-5-2-3-7-23(18)26-30-25-13-12-22(33-21-10-8-20(28)9-11-21)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092319
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092989
PNG
(1-[1-(4-Benzenesulfonyl-phenyl)-ethyl]-4-cyclohexy...)
Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H32N2O2S/c1-20(25-16-18-26(19-17-25)22-8-4-2-5-9-22)21-12-14-24(15-13-21)29(27,28)23-10-6-3-7-11-23/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222859
PNG
(6-(4-chlorophenyl)-3-{[(3S)-1-ethylpiperidin-3-yl]...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222873
PNG
(6-(4-chlorophenyl)-3-[(1-isopropylpiperidin-3-yl)m...)
Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 |w:7.7|
Show InChI InChI=1S/C30H32ClN3O/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-12-24(17-27(28)30(34)35)23-10-13-25(31)14-11-23/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3
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1.80n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222884
PNG
(6-(4-chlorophenyl)-3-[(-1-ethylpiperidin-3-yl)meth...)
Show SMILES CCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 |w:6.6|
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50280440
PNG
(8-Chloro-5-cyclohex-2-enyl-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCC=C1 |c:20|
Show InChI InChI=1S/C17H22ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h3,5,9-10,12,15,20H,2,4,6-8,11H2,1H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50044287
PNG
(CHEMBL3356900)
Show SMILES CCCn1cnc(CCNC(=O)Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)c1
Show InChI InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)
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2n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DOPAMINE


(RAT)
BDBM50280435
PNG
(8-Chloro-5-cyclohex-1-enyl-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1=CCCCC1 |t:16|
Show InChI InChI=1S/C17H22ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h5,9-10,15,20H,2-4,6-8,11H2,1H3
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222863
PNG
(6-(4-chlorophenyl)-3-[(1-cyclobutylpiperidin-3-yl)...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(C1)C1CCC1)-c1ccc(Cl)cc1 |w:19.21|
Show InChI InChI=1S/C31H32ClN3O/c1-21-6-2-3-10-27(21)30-33-29-16-13-24(23-11-14-25(32)15-12-23)18-28(29)31(36)35(30)20-22-7-5-17-34(19-22)26-8-4-9-26/h2-3,6,10-16,18,22,26H,4-5,7-9,17,19-20H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451110
PNG
(CHEMBL2111540)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|
Show InChI InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4127784
PNG
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50280434
PNG
(8-Chloro-3-methyl-5-propyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CCCC1CN(C)CCc2cc(Cl)c(O)cc12
Show InChI InChI=1S/C14H20ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h7-8,11,17H,3-6,9H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50280443
PNG
(8-Chloro-5-cyclohepta-2,4,6-trienyl-3-methyl-2,3,4...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1C=CC=CC=C1 |c:17,19,21|
Show InChI InChI=1S/C18H20ClNO/c1-20-9-8-14-10-17(19)18(21)11-15(14)16(12-20)13-6-4-2-3-5-7-13/h2-7,10-11,13,16,21H,8-9,12H2,1H3
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451110
PNG
(CHEMBL2111540)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|
Show InChI InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222858
PNG
(6-(4-fluorophenoxy)-2-isopropyl-3-[(1-isopropylpip...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C(C)C)C1
Show InChI InChI=1S/C26H32FN3O2/c1-17(2)25-28-24-12-11-22(32-21-9-7-20(27)8-10-21)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222879
PNG
(6-(4-chlorophenyl)-3-{[1-(2-methoxyethyl)piperidin...)
Show SMILES COCCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 |w:8.8|
Show InChI InChI=1S/C30H32ClN3O2/c1-21-6-3-4-8-26(21)29-32-28-14-11-24(23-9-12-25(31)13-10-23)18-27(28)30(35)34(29)20-22-7-5-15-33(19-22)16-17-36-2/h3-4,6,8-14,18,22H,5,7,15-17,19-20H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4129974
PNG
PDB
MMDB

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4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4126773
PNG
PDB
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4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092993
PNG
(1-Cyclohexyl-4-{2,2,2-trifluoro-1-[4-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C25H31F3N2O2S/c1-32-21-9-13-23(14-10-21)33(31)22-11-7-19(8-12-22)24(25(26,27)28)30-17-15-29(16-18-30)20-5-3-2-4-6-20/h7-14,20,24H,2-6,15-18H2,1H3
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50280441
PNG
(8-Chloro-5-cyclopent-1-enyl-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1=CCCC1 |t:16|
Show InChI InChI=1S/C16H20ClNO/c1-18-7-6-12-8-15(17)16(19)9-13(12)14(10-18)11-4-2-3-5-11/h4,8-9,14,19H,2-3,5-7,10H2,1H3
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5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50280439
PNG
(5-Allyl-8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(CC=C)C1
Show InChI InChI=1S/C14H18ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h3,7-8,11,17H,1,4-6,9H2,2H3
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4129180
PNG
PDB
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6n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092319
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092996
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O3S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4130036
PNG
PDB
MMDB

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7n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222862
PNG
(6-(4-chlorophenyl)-2-(2-methylphenyl)-3-(piperidin...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCNC1)-c1ccc(Cl)cc1 |w:19.21|
Show InChI InChI=1S/C27H26ClN3O/c1-18-5-2-3-7-23(18)26-30-25-13-10-21(20-8-11-22(28)12-9-20)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3
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7n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50280438
PNG
(8-Chloro-5-cycloheptyl-3-methyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCCCC1
Show InChI InChI=1S/C18H26ClNO/c1-20-9-8-14-10-17(19)18(21)11-15(14)16(12-20)13-6-4-2-3-5-7-13/h10-11,13,16,21H,2-9,12H2,1H3
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7.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092317
PNG
((4-Cyclohexyl-piperazin-1-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092984
PNG
(1-{1-[4-(4-Chloro-benzenesulfonyl)-phenyl]-ethyl}-...)
Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H31ClN2O2S/c1-19(26-15-17-27(18-16-26)22-5-3-2-4-6-22)20-7-11-23(12-8-20)30(28,29)24-13-9-21(25)10-14-24/h7-14,19,22H,2-6,15-18H2,1H3
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4126707
PNG
PDB
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8n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50280431
PNG
(8-Chloro-3-methyl-5-prop-2-ynyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(CC#C)C1
Show InChI InChI=1S/C14H16ClNO/c1-3-4-11-9-16(2)6-5-10-7-13(15)14(17)8-12(10)11/h1,7-8,11,17H,4-6,9H2,2H3
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8.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4127853
PNG
PDB
MMDB

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9n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4129251
PNG
PDB
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9n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451110
PNG
(CHEMBL2111540)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|
Show InChI InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/m0/s1
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9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50280430
PNG
(8-Chloro-5-cyclohexyl-3-methyl-2,3,4,5-tetrahydro-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCCC1
Show InChI InChI=1S/C17H24ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h9-10,12,15,20H,2-8,11H2,1H3
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4125738
PNG
PDB
MMDB

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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092995
PNG
(1-Cyclohexyl-4-{1-[4-(toluene-4-sulfonyl)-phenyl]-...)
Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H34N2O2S/c1-20-8-12-24(13-9-20)30(28,29)25-14-10-22(11-15-25)21(2)26-16-18-27(19-17-26)23-6-4-3-5-7-23/h8-15,21,23H,3-7,16-19H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
CHEMBL4128822
PNG
PDB
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50280437
PNG
(8-Chloro-5-cyclopentyl-3-methyl-2,3,4,5-tetrahydro...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)C1CCCC1
Show InChI InChI=1S/C16H22ClNO/c1-18-7-6-12-8-15(17)16(19)9-13(12)14(10-18)11-4-2-3-5-11/h8-9,11,14,19H,2-7,10H2,1H3
UniProtKB/SwissProt

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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 2: 399-402 (1992)


Article DOI: 10.1016/S0960-894X(00)80155-9
BindingDB Entry DOI: 10.7270/Q2C53KRS
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222881
PNG
((S)-3-((1-ethylpiperidin-3-yl)methyl)-2-o-tolyl-6-...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3/t17-/m0/s1
KEGG

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16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222853
PNG
(6-(4-chlorophenyl)-3-{[1-(2-fluoroethyl)piperidin-...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(CCF)C1)-c1ccc(Cl)cc1 |w:19.21|
Show InChI InChI=1S/C29H29ClFN3O/c1-20-5-2-3-7-25(20)28-32-27-13-10-23(22-8-11-24(30)12-9-22)17-26(27)29(35)34(28)19-21-6-4-15-33(18-21)16-14-31/h2-3,5,7-13,17,21H,4,6,14-16,18-19H2,1H3
KEGG

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16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
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