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Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'rose' and Initial = 'cr'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176411
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-15-16(18(29)27(10-25-15)9-19(22,23)24)26-28(17)14-4-2-1-3-13(14)21/h1-8,10H,9H2
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176407
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176407
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176411
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-15-16(18(29)27(10-25-15)9-19(22,23)24)26-28(17)14-4-2-1-3-13(14)21/h1-8,10H,9H2
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120502
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...)
Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00734-5
BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120504
PNG
(2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1
Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00734-5
BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176403
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES FC(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H12Cl2F2N4O/c20-12-7-5-11(6-8-12)18-16-17(19(28)26(10-24-16)9-15(22)23)25-27(18)14-4-2-1-3-13(14)21/h1-8,10,15H,9H2
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0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29061
PNG
(CHEMBL201602 | pyrazolopyrimidinone-based antagoni...)
Show SMILES Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176402
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1ccc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50342721
PNG
(CHEMBL1771259 | N1-(3-(2,6-dichloro-4-methoxypheny...)
Show SMILES COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1
Show InChI InChI=1S/C22H27Cl2N5O2/c1-13-10-19(26-7-6-25-15-4-8-31-9-5-15)29-22(27-13)20(14(2)28-29)21-17(23)11-16(30-3)12-18(21)24/h10-12,15,25-26H,4-9H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells


Bioorg Med Chem Lett 21: 2641-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.116
BindingDB Entry DOI: 10.7270/Q2BP0336
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176418
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-1-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2N(C(Nc2c1=O)c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1/C19H13Cl2F3N4O/c20-11-5-7-12(8-6-11)28-16(13-3-1-2-4-14(13)21)26-15-17(28)25-10-27(18(15)29)9-19(22,23)24/h1-8,10,16,26H,9H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176418
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-1-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1cnc2N(C(Nc2c1=O)c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1/C19H13Cl2F3N4O/c20-11-5-7-12(8-6-11)28-16(13-3-1-2-4-14(13)21)26-15-17(28)25-10-27(18(15)29)9-19(22,23)24/h1-8,10,16,26H,9H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176416
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-6-(2...)
Show SMILES CCc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C21H15Cl2F3N4O/c1-2-16-27-17-18(20(31)29(16)11-21(24,25)26)28-30(15-6-4-3-5-14(15)23)19(17)12-7-9-13(22)10-8-12/h3-10H,2,11H2,1H3
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29061
PNG
(CHEMBL201602 | pyrazolopyrimidinone-based antagoni...)
Show SMILES Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176403
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)
Show SMILES FC(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H12Cl2F2N4O/c20-12-7-5-11(6-8-12)18-16-17(19(28)26(10-24-16)9-15(22)23)25-27(18)14-4-2-1-3-13(14)21/h1-8,10,15H,9H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176402
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1ccc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176415
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(3,3,3-tri...)
Show SMILES FC(F)(F)CCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c21-13-7-5-12(6-8-13)18-16-17(27-29(18)15-4-2-1-3-14(15)22)19(30)28(11-26-16)10-9-20(23,24)25/h1-8,11H,9-10H2
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1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176413
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-propyl-2H-...)
Show SMILES CCCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H16Cl2N4O/c1-2-11-25-12-23-17-18(20(25)27)24-26(16-6-4-3-5-15(16)22)19(17)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176413
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-propyl-2H-...)
Show SMILES CCCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H16Cl2N4O/c1-2-11-25-12-23-17-18(20(25)27)24-26(16-6-4-3-5-15(16)22)19(17)13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176410
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-fluoroe...)
Show SMILES FCCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H13Cl2FN4O/c20-13-7-5-12(6-8-13)18-16-17(19(27)25(10-9-22)11-23-16)24-26(18)15-4-2-1-3-14(15)21/h1-8,11H,9-10H2
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176416
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-6-(2...)
Show SMILES CCc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C21H15Cl2F3N4O/c1-2-16-27-17-18(20(31)29(16)11-21(24,25)26)28-30(15-6-4-3-5-14(15)23)19(17)12-7-9-13(22)10-8-12/h3-10H,2,11H2,1H3
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50342728
PNG
(CHEMBL1771260 | N1-(3-(2,6-dichloro-4-ethoxyphenyl...)
Show SMILES CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1
Show InChI InChI=1S/C23H29Cl2N5O2/c1-4-32-17-12-18(24)22(19(25)13-17)21-15(3)29-30-20(11-14(2)28-23(21)30)27-8-7-26-16-5-9-31-10-6-16/h11-13,16,26-27H,4-10H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells


Bioorg Med Chem Lett 21: 2641-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.116
BindingDB Entry DOI: 10.7270/Q2BP0336
More data for this
Ligand-Target Pair
NPY1R


(RAT)
BDBM50342721
PNG
(CHEMBL1771259 | N1-(3-(2,6-dichloro-4-methoxypheny...)
Show SMILES COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1
Show InChI InChI=1S/C22H27Cl2N5O2/c1-13-10-19(26-7-6-25-15-4-8-31-9-5-15)29-22(27-13)20(14(2)28-29)21-17(23)11-16(30-3)12-18(21)24/h10-12,15,25-26H,4-9H2,1-3H3
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3.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]sauvagin from rat recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells


Bioorg Med Chem Lett 21: 2641-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.116
BindingDB Entry DOI: 10.7270/Q2BP0336
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176409
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-2H-p...)
Show SMILES CCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H14Cl2N4O/c1-2-24-11-22-16-17(19(24)26)23-25(15-6-4-3-5-14(15)21)18(16)12-7-9-13(20)10-8-12/h3-11H,2H2,1H3
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176412
PNG
(6-benzyl-2-(2-chlorophenyl)-3-(4-chlorophenyl)-2H-...)
Show SMILES Clc1ccc(cc1)-c1n(nc2c1ncn(Cc1ccccc1)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c25-18-12-10-17(11-13-18)23-21-22(28-30(23)20-9-5-4-8-19(20)26)24(31)29(15-27-21)14-16-6-2-1-3-7-16/h1-13,15H,14H2
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176415
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(3,3,3-tri...)
Show SMILES FC(F)(F)CCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c21-13-7-5-12(6-8-13)18-16-17(27-29(18)15-4-2-1-3-14(15)22)19(30)28(11-26-16)10-9-20(23,24)25/h1-8,11H,9-10H2
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176404
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1ncc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-13-9-25-27(10-19(22,23)24)18(29)16(13)26-28(17)15-4-2-1-3-14(15)21/h1-9H,10H2
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176409
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-2H-p...)
Show SMILES CCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H14Cl2N4O/c1-2-24-11-22-16-17(19(24)26)23-25(15-6-4-3-5-14(15)21)18(16)12-7-9-13(20)10-8-12/h3-11H,2H2,1H3
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50342726
PNG
(CHEMBL1771262 | N1-(3-(2,6-dichloro-4-methoxypheny...)
Show SMILES COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1
Show InChI InChI=1/C23H29Cl2N5O2/c1-13-9-20(26-12-14(2)27-16-5-7-32-8-6-16)30-23(28-13)21(15(3)29-30)22-18(24)10-17(31-4)11-19(22)25/h9-11,14,16,26-27H,5-8,12H2,1-4H3
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells


Bioorg Med Chem Lett 21: 2641-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.116
BindingDB Entry DOI: 10.7270/Q2BP0336
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120505
PNG
(2-Amino-N-{(R)-1-(2,4-difluoro-benzyloxymethyl)-2-...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1
Show InChI InChI=1S/C28H31F5N6O4/c1-26(2,34)24(41)36-21(14-43-13-17-6-7-18(29)11-20(17)30)23(40)38-10-8-22-27(15-38,12-19-5-3-4-9-35-19)25(42)39(37-22)16-28(31,32)33/h3-7,9,11,21H,8,10,12-16,34H2,1-2H3,(H,36,41)/t21-,27-/m1/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00734-5
BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176410
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-fluoroe...)
Show SMILES FCCn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H13Cl2FN4O/c20-13-7-5-12(6-8-13)18-16-17(19(27)25(10-9-22)11-23-16)24-26(18)15-4-2-1-3-14(15)21/h1-8,11H,9-10H2
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50342724
PNG
(CHEMBL1771264 | N1-(3-(2,6-dichloro-4-methoxypheny...)
Show SMILES COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCCCC4F)cc(C)nc23)c(Cl)c1
Show InChI InChI=1/C23H28Cl2FN5O/c1-13-10-20(28-9-8-27-19-7-5-4-6-18(19)26)31-23(29-13)21(14(2)30-31)22-16(24)11-15(32-3)12-17(22)25/h10-12,18-19,27-28H,4-9H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells


Bioorg Med Chem Lett 21: 2641-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.116
BindingDB Entry DOI: 10.7270/Q2BP0336
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176412
PNG
(6-benzyl-2-(2-chlorophenyl)-3-(4-chlorophenyl)-2H-...)
Show SMILES Clc1ccc(cc1)-c1n(nc2c1ncn(Cc1ccccc1)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c25-18-12-10-17(11-13-18)23-21-22(28-30(23)20-9-5-4-8-19(20)26)24(31)29(15-27-21)14-16-6-2-1-3-7-16/h1-13,15H,14H2
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176414
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-isopropyl-...)
Show SMILES CC(C)c1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2F3N4O/c1-12(2)20-28-17-18(21(32)30(20)11-22(25,26)27)29-31(16-6-4-3-5-15(16)24)19(17)13-7-9-14(23)10-8-13/h3-10,12H,11H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386955
PNG
(CHEMBL2048820)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1
Show InChI InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00734-5
BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50342729
PNG
(CHEMBL1771258 | N1-(3-(2,6-dichlorophenyl)-2,5-dim...)
Show SMILES Cc1nn2c(NCCNC3CCOCC3)cc(C)nc2c1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H25Cl2N5O/c1-13-12-18(25-9-8-24-15-6-10-29-11-7-15)28-21(26-13)19(14(2)27-28)20-16(22)4-3-5-17(20)23/h3-5,12,15,24-25H,6-11H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells


Bioorg Med Chem Lett 21: 2641-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.116
BindingDB Entry DOI: 10.7270/Q2BP0336
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50342727
PNG
(CHEMBL1771261 | N1-(3-(2,6-dichloro-4-propoxypheny...)
Show SMILES CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1
Show InChI InChI=1S/C24H31Cl2N5O2/c1-4-9-33-18-13-19(25)23(20(26)14-18)22-16(3)30-31-21(12-15(2)29-24(22)31)28-8-7-27-17-5-10-32-11-6-17/h12-14,17,27-28H,4-11H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells


Bioorg Med Chem Lett 21: 2641-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.116
BindingDB Entry DOI: 10.7270/Q2BP0336
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176404
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)Cn1ncc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-13-9-25-27(10-19(22,23)24)18(29)16(13)26-28(17)15-4-2-1-3-14(15)21/h1-9H,10H2
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386949
PNG
(CHEMBL2048814)
Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4Cl)-n4nccn4)C3)CC2)cc1
Show InChI InChI=1S/C25H28ClN5O3/c1-33-21-4-6-22(7-5-21)34-16-24(32)30-12-8-25(9-13-30)17-29(18-25)15-19-2-3-20(14-23(19)26)31-27-10-11-28-31/h2-7,10-11,14H,8-9,12-13,15-18H2,1H3
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176406
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(piperidin...)
Show SMILES Clc1ccc(cc1)-c1n(nc2c1ncn(N1CCCCC1)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C22H19Cl2N5O/c23-16-10-8-15(9-11-16)21-19-20(26-29(21)18-7-3-2-6-17(18)24)22(30)28(14-25-19)27-12-4-1-5-13-27/h2-3,6-11,14H,1,4-5,12-13H2
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12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176414
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-isopropyl-...)
Show SMILES CC(C)c1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2F3N4O/c1-12(2)20-28-17-18(21(32)30(20)11-22(25,26)27)29-31(16-6-4-3-5-15(16)24)19(17)13-7-9-14(23)10-8-13/h3-10,12H,11H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386952
PNG
(CHEMBL2048817)
Show SMILES CC(C)COc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2n[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H34N4O2/c1-20(2)17-33-22-9-7-21(8-10-22)16-30-18-27(19-30)11-13-31(14-12-27)26(32)15-25-23-5-3-4-6-24(23)28-29-25/h3-10,20H,11-19H2,1-2H3,(H,28,29)
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386957
PNG
(CHEMBL2048822)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-c5ncccn5)C4)CC3)nc2s1
Show InChI InChI=1S/C26H28N6OS/c1-19-14-32-16-22(29-25(32)34-19)13-23(33)31-11-7-26(8-12-31)17-30(18-26)15-20-3-5-21(6-4-20)24-27-9-2-10-28-24/h2-6,9-10,14,16H,7-8,11-13,15,17-18H2,1H3
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386948
PNG
(CHEMBL2048813)
Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4)-n4nccn4)C3)CC2)cc1
Show InChI InChI=1S/C25H29N5O3/c1-32-22-6-8-23(9-7-22)33-17-24(31)29-14-10-25(11-15-29)18-28(19-25)16-20-2-4-21(5-3-20)30-26-12-13-27-30/h2-9,12-13H,10-11,14-19H2,1H3
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386953
PNG
(CHEMBL2048818)
Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(OCC(C)C)cc4Cl)C3)CC2)cn1
Show InChI InChI=1S/C26H34ClN3O4/c1-19(2)15-33-21-5-4-20(23(27)12-21)14-29-17-26(18-29)8-10-30(11-9-26)25(31)16-34-22-6-7-24(32-3)28-13-22/h4-7,12-13,19H,8-11,14-18H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120503
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-methyl-3-oxo-2,3,3a,...)
Show SMILES CN1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H33F2N5O4/c1-27(2,31)25(37)32-22(16-39-15-19-9-10-20(29)21(30)13-19)24(36)35-12-11-23-28(17-35,26(38)34(3)33-23)14-18-7-5-4-6-8-18/h4-10,13,22H,11-12,14-17,31H2,1-3H3,(H,32,37)/t22-,28?/m1/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00734-5
BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176406
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(piperidin...)
Show SMILES Clc1ccc(cc1)-c1n(nc2c1ncn(N1CCCCC1)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C22H19Cl2N5O/c23-16-10-8-15(9-11-16)21-19-20(26-29(21)18-7-3-2-6-17(18)24)22(30)28(14-25-19)27-12-4-1-5-13-27/h2-3,6-11,14H,1,4-5,12-13H2
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
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