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Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'harris' and Initial = 'dl'   
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))
BDBM27337
PNG
(1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...)
Show SMILES CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
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0.700n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461710
PNG
(CHEMBL4225147)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2cccc(Cl)c2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H23Cl3N6/c29-20-8-10-22(11-9-20)37-26(23-6-1-2-7-24(23)31)34-25-27(32-18-33-28(25)37)36-14-12-35(13-15-36)17-19-4-3-5-21(30)16-19/h1-11,16,18H,12-15,17H2
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0.900n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461703
PNG
(CHEMBL4225421)
Show SMILES Clc1ccc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H23Cl3N6/c29-20-7-5-19(6-8-20)17-35-13-15-36(16-14-35)27-25-28(33-18-32-27)37(22-11-9-21(30)10-12-22)26(34-25)23-3-1-2-4-24(23)31/h1-12,18H,13-17H2
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1n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461698
PNG
(CHEMBL4227354)
Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H26Cl2N6/c1-20(21-7-3-2-4-8-21)35-15-17-36(18-16-35)28-26-29(33-19-32-28)37(23-13-11-22(30)12-14-23)27(34-26)24-9-5-6-10-25(24)31/h2-14,19-20H,15-18H2,1H3
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1.10n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461712
PNG
(CHEMBL4229172)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C26H21Cl2N7/c27-18-8-10-19(11-9-18)35-24(20-5-1-2-6-21(20)28)32-23-25(30-17-31-26(23)35)34-15-13-33(14-16-34)22-7-3-4-12-29-22/h1-12,17H,13-16H2
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2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461705
PNG
(CHEMBL4226777)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CCc2ccccc2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C29H26Cl2N6/c30-22-10-12-23(13-11-22)37-27(24-8-4-5-9-25(24)31)34-26-28(32-20-33-29(26)37)36-18-16-35(17-19-36)15-14-21-6-2-1-3-7-21/h1-13,20H,14-19H2
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2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461685
PNG
(CHEMBL4227442)
Show SMILES FC(F)(F)Oc1ccccc1CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H23Cl2F3N6O/c30-20-9-11-21(12-10-20)40-26(22-6-2-3-7-23(22)31)37-25-27(35-18-36-28(25)40)39-15-13-38(14-16-39)17-19-5-1-4-8-24(19)41-29(32,33)34/h1-12,18H,13-17H2
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2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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2n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461695
PNG
(CHEMBL4226066)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24Cl2N6O/c1-37-24-9-5-4-8-23(24)34-14-16-35(17-15-34)27-25-28(32-18-31-27)36(20-12-10-19(29)11-13-20)26(33-25)21-6-2-3-7-22(21)30/h2-13,18H,14-17H2,1H3
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2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461694
PNG
(CHEMBL4225213)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccccc1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C28H21Cl2N7/c29-20-9-11-21(12-10-20)37-26(22-6-2-3-7-23(22)30)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)24-8-4-1-5-19(24)17-31/h1-12,18H,13-16H2
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2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461693
PNG
(CHEMBL4228096)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C27H22Cl2N6/c28-19-10-12-21(13-11-19)35-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)35)34-16-14-33(15-17-34)20-6-2-1-3-7-20/h1-13,18H,14-17H2
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2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461686
PNG
(CHEMBL4228748)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)C#N)-c1ccccc1Cl
Show InChI InChI=1S/C28H21Cl2N7/c29-20-7-11-22(12-8-20)37-26(23-3-1-2-4-24(23)30)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)21-9-5-19(17-31)6-10-21/h1-12,18H,13-16H2
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2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461691
PNG
(CHEMBL4224946)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl2FN6/c28-18-5-9-21(10-6-18)36-25(22-3-1-2-4-23(22)29)33-24-26(31-17-32-27(24)36)35-15-13-34(14-16-35)20-11-7-19(30)8-12-20/h1-12,17H,13-16H2
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2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461688
PNG
(CHEMBL4225049)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C27H28Cl2N6/c28-19-10-12-21(13-11-19)35-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)35)34-16-14-33(15-17-34)20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-17H2
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2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461687
PNG
(CHEMBL4226710)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2C#N)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C29H23Cl2N7/c30-22-9-11-23(12-10-22)38-27(24-7-3-4-8-25(24)31)35-26-28(33-19-34-29(26)38)37-15-13-36(14-16-37)18-21-6-2-1-5-20(21)17-32/h1-12,19H,13-16,18H2
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3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM27343
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl2N6/c1-28-10-12-29(13-11-28)21-19-22(26-14-25-21)30(16-8-6-15(23)7-9-16)20(27-19)17-4-2-3-5-18(17)24/h2-9,14H,10-13H2,1H3
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3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461696
PNG
(CHEMBL4225525)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24Cl2N6O/c1-37-22-12-10-20(11-13-22)34-14-16-35(17-15-34)27-25-28(32-18-31-27)36(21-8-6-19(29)7-9-21)26(33-25)23-4-2-3-5-24(23)30/h2-13,18H,14-17H2,1H3
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3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461700
PNG
(CHEMBL4229032)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccncc2Cl)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C27H22Cl3N7/c28-19-5-7-20(8-6-19)37-25(21-3-1-2-4-22(21)29)34-24-26(32-17-33-27(24)37)36-13-11-35(12-14-36)16-18-9-10-31-15-23(18)30/h1-10,15,17H,11-14,16H2
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3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461702
PNG
(CHEMBL4225999)
Show SMILES Fc1ccc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H23Cl2FN6/c29-20-7-11-22(12-8-20)37-26(23-3-1-2-4-24(23)30)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)17-19-5-9-21(31)10-6-19/h1-12,18H,13-17H2
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4n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461692
PNG
(CHEMBL4227013)
Show SMILES Cc1ccccc1CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H26Cl2N6/c1-20-6-2-3-7-21(20)18-35-14-16-36(17-15-35)28-26-29(33-19-32-28)37(23-12-10-22(30)11-13-23)27(34-26)24-8-4-5-9-25(24)31/h2-13,19H,14-18H2,1H3
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4n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461697
PNG
(CHEMBL4225260)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H24Cl2N6/c29-21-10-12-22(13-11-21)36-26(23-8-4-5-9-24(23)30)33-25-27(31-19-32-28(25)36)35-16-14-34(15-17-35)18-20-6-2-1-3-7-20/h1-13,19H,14-18H2
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4n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461701
PNG
(CHEMBL4225928)
Show SMILES FC(F)(F)c1ccccc1CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H23Cl2F3N6/c30-20-9-11-21(12-10-20)40-26(22-6-2-4-8-24(22)31)37-25-27(35-18-36-28(25)40)39-15-13-38(14-16-39)17-19-5-1-3-7-23(19)29(32,33)34/h1-12,18H,13-17H2
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5n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Rattus norvegicus)
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461707
PNG
(CHEMBL4225446)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(C#N)c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C29H23Cl2N7/c30-21-10-12-22(13-11-21)38-27(23-8-4-5-9-24(23)31)35-26-28(33-19-34-29(26)38)37-16-14-36(15-17-37)25(18-32)20-6-2-1-3-7-20/h1-13,19,25H,14-17H2
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7n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461708
PNG
(CHEMBL4225409)
Show SMILES Fc1ccccc1CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H23Cl2FN6/c29-20-9-11-21(12-10-20)37-26(22-6-2-3-7-23(22)30)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)17-19-5-1-4-8-24(19)31/h1-12,18H,13-17H2
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7n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461709
PNG
(CHEMBL4225349)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2Cl)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H23Cl3N6/c29-20-9-11-21(12-10-20)37-26(22-6-2-4-8-24(22)31)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)17-19-5-1-3-7-23(19)30/h1-12,18H,13-17H2
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8n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461711
PNG
(CHEMBL4227115)
Show SMILES Cc1ccc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H26Cl2N6/c1-20-6-8-21(9-7-20)18-35-14-16-36(17-15-35)28-26-29(33-19-32-28)37(23-12-10-22(30)11-13-23)27(34-26)24-4-2-3-5-25(24)31/h2-13,19H,14-18H2,1H3
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8n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461714
PNG
(CHEMBL4225343)
Show SMILES Cc1c(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cnn1C
Show InChI InChI=1S/C27H26Cl2N8/c1-18-19(15-32-34(18)2)16-35-11-13-36(14-12-35)26-24-27(31-17-30-26)37(21-9-7-20(28)8-10-21)25(33-24)22-5-3-4-6-23(22)29/h3-10,15,17H,11-14,16H2,1-2H3
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8n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461690
PNG
(CHEMBL4225671)
Show SMILES COc1ccc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H26Cl2N6O/c1-38-23-12-6-20(7-13-23)18-35-14-16-36(17-15-35)28-26-29(33-19-32-28)37(22-10-8-21(30)9-11-22)27(34-26)24-4-2-3-5-25(24)31/h2-13,19H,14-18H2,1H3
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12n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461689
PNG
(CHEMBL4229155)
Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccncc1
Show InChI InChI=1S/C28H25Cl2N7/c1-19(20-10-12-31-13-11-20)35-14-16-36(17-15-35)27-25-28(33-18-32-27)37(22-8-6-21(29)7-9-22)26(34-25)23-4-2-3-5-24(23)30/h2-13,18-19H,14-17H2,1H3
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12n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461713
PNG
(CHEMBL4229050)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CCc2ccncc2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H25Cl2N7/c29-21-5-7-22(8-6-21)37-26(23-3-1-2-4-24(23)30)34-25-27(32-19-33-28(25)37)36-17-15-35(16-18-36)14-11-20-9-12-31-13-10-20/h1-10,12-13,19H,11,14-18H2
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12n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Rattus norvegicus)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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21n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461699
PNG
(CHEMBL4225661)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccncc2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C27H23Cl2N7/c28-20-5-7-21(8-6-20)36-25(22-3-1-2-4-23(22)29)33-24-26(31-18-32-27(24)36)35-15-13-34(14-16-35)17-19-9-11-30-12-10-19/h1-12,18H,13-17H2
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22n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461704
PNG
(CHEMBL4227549)
Show SMILES Cc1nc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)no1
Show InChI InChI=1S/C25H22Cl2N8O/c1-16-30-21(32-36-16)14-33-10-12-34(13-11-33)24-22-25(29-15-28-24)35(18-8-6-17(26)7-9-18)23(31-22)19-4-2-3-5-20(19)27/h2-9,15H,10-14H2,1H3
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24n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50041429
PNG
(CHEMBL3356854)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:24.27,(2.86,-22.1,;4.19,-22.87,;4.2,-24.41,;2.87,-25.18,;2.87,-26.72,;4.2,-27.49,;5.54,-26.72,;6.87,-27.49,;6.87,-29.03,;5.53,-25.17,;6.86,-24.4,;8.19,-25.17,;9.52,-24.39,;9.52,-22.85,;8.17,-22.09,;8.16,-20.57,;6.83,-19.81,;5.51,-20.59,;4.17,-19.84,;5.52,-22.09,;6.85,-22.87,;10.86,-25.16,;10.87,-26.7,;12.19,-24.38,;13.53,-25.15,;14.86,-24.38,;16.2,-25.14,;17.53,-24.37,;16.2,-26.68,;13.54,-26.69,;12.2,-27.47,;14.87,-27.46,)|
Show InChI InChI=1S/C23H24ClN3O5/c1-12(2)10-16(23(29)30)26-22(28)21-25-15-9-8-13(24)11-14(15)20(27-21)19-17(31-3)6-5-7-18(19)32-4/h5-9,11-12,16H,10H2,1-4H3,(H,26,28)(H,29,30)/t16-/m0/s1
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>25n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50041428
PNG
(CHEMBL3356855)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:24.27,(22.57,-23.73,;23.91,-24.49,;23.91,-26.03,;22.58,-26.8,;22.58,-28.35,;23.92,-29.12,;25.25,-28.35,;26.59,-29.11,;26.59,-30.65,;25.25,-26.8,;26.57,-26.02,;27.91,-26.79,;29.24,-26.02,;29.24,-24.48,;27.88,-23.72,;27.87,-22.19,;26.55,-21.44,;25.22,-22.22,;23.88,-21.46,;25.24,-23.72,;26.57,-24.49,;30.58,-26.78,;30.58,-28.32,;31.91,-26.01,;33.24,-26.77,;34.58,-26,;35.91,-26.77,;37.24,-26.01,;37.24,-24.46,;35.91,-23.69,;34.57,-24.47,;33.25,-28.32,;31.92,-29.09,;34.59,-29.08,)|
Show InChI InChI=1S/C25H26ClN3O5/c1-33-18-9-6-10-19(34-2)20(18)22-16-13-15(26)11-12-17(16)27-23(28-22)24(30)29-21(25(31)32)14-7-4-3-5-8-14/h6,9-14,21H,3-5,7-8H2,1-2H3,(H,29,30)(H,31,32)/t21-/m0/s1
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>25n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461706
PNG
(CHEMBL4228756)
Show SMILES Oc1cccc(c1)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H22Cl2N6O/c28-18-8-10-19(11-9-18)35-25(22-6-1-2-7-23(22)29)32-24-26(30-17-31-27(24)35)34-14-12-33(13-15-34)20-4-3-5-21(36)16-20/h1-11,16-17,36H,12-15H2
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25n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50041427
PNG
(CHEMBL3356853)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)NC1(CCCCC1)C(O)=O |(41.35,-22.47,;42.69,-23.24,;42.69,-24.79,;41.36,-25.56,;41.36,-27.11,;42.7,-27.88,;44.04,-27.1,;45.37,-27.87,;45.38,-29.42,;44.03,-25.55,;45.36,-24.78,;46.7,-25.55,;48.03,-24.77,;48.03,-23.23,;46.67,-22.47,;46.66,-20.94,;45.33,-20.18,;44.01,-20.96,;42.66,-20.21,;44.02,-22.47,;45.35,-23.24,;49.37,-25.54,;49.38,-27.08,;50.71,-24.76,;52.04,-25.53,;53.38,-26.3,;54.7,-25.53,;54.71,-23.99,;53.38,-23.22,;52.04,-23.99,;52.05,-27.08,;50.72,-27.85,;53.39,-27.84,)|
Show InChI InChI=1S/C24H24ClN3O5/c1-32-17-7-6-8-18(33-2)19(17)20-15-13-14(25)9-10-16(15)26-21(27-20)22(29)28-24(23(30)31)11-4-3-5-12-24/h6-10,13H,3-5,11-12H2,1-2H3,(H,28,29)(H,30,31)
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>25n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Rattus norvegicus)
BDBM50041429
PNG
(CHEMBL3356854)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:24.27,(2.86,-22.1,;4.19,-22.87,;4.2,-24.41,;2.87,-25.18,;2.87,-26.72,;4.2,-27.49,;5.54,-26.72,;6.87,-27.49,;6.87,-29.03,;5.53,-25.17,;6.86,-24.4,;8.19,-25.17,;9.52,-24.39,;9.52,-22.85,;8.17,-22.09,;8.16,-20.57,;6.83,-19.81,;5.51,-20.59,;4.17,-19.84,;5.52,-22.09,;6.85,-22.87,;10.86,-25.16,;10.87,-26.7,;12.19,-24.38,;13.53,-25.15,;14.86,-24.38,;16.2,-25.14,;17.53,-24.37,;16.2,-26.68,;13.54,-26.69,;12.2,-27.47,;14.87,-27.46,)|
Show InChI InChI=1S/C23H24ClN3O5/c1-12(2)10-16(23(29)30)26-22(28)21-25-15-9-8-13(24)11-14(15)20(27-21)19-17(31-3)6-5-7-18(19)32-4/h5-9,11-12,16H,10H2,1-4H3,(H,26,28)(H,29,30)/t16-/m0/s1
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88n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50461688
PNG
(CHEMBL4225049)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C27H28Cl2N6/c28-19-10-12-21(13-11-19)35-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)35)34-16-14-33(15-17-34)20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-17H2
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110n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50461697
PNG
(CHEMBL4225260)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2ccccc2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H24Cl2N6/c29-21-10-12-22(13-11-21)36-26(23-8-4-5-9-24(23)30)33-25-27(31-19-32-28(25)36)35-16-14-34(15-17-35)18-20-6-2-1-3-7-20/h1-13,19H,14-18H2
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430n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50461707
PNG
(CHEMBL4225446)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(C#N)c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C29H23Cl2N7/c30-21-10-12-22(13-11-21)38-27(23-8-4-5-9-24(23)31)35-26-28(33-19-34-29(26)38)37-16-14-36(15-17-37)25(18-32)20-6-2-1-3-7-20/h1-13,19,25H,14-17H2
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460n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Rattus norvegicus)
BDBM50041428
PNG
(CHEMBL3356855)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:24.27,(22.57,-23.73,;23.91,-24.49,;23.91,-26.03,;22.58,-26.8,;22.58,-28.35,;23.92,-29.12,;25.25,-28.35,;26.59,-29.11,;26.59,-30.65,;25.25,-26.8,;26.57,-26.02,;27.91,-26.79,;29.24,-26.02,;29.24,-24.48,;27.88,-23.72,;27.87,-22.19,;26.55,-21.44,;25.22,-22.22,;23.88,-21.46,;25.24,-23.72,;26.57,-24.49,;30.58,-26.78,;30.58,-28.32,;31.91,-26.01,;33.24,-26.77,;34.58,-26,;35.91,-26.77,;37.24,-26.01,;37.24,-24.46,;35.91,-23.69,;34.57,-24.47,;33.25,-28.32,;31.92,-29.09,;34.59,-29.08,)|
Show InChI InChI=1S/C25H26ClN3O5/c1-33-18-9-6-10-19(34-2)20(18)22-16-13-15(26)11-12-17(16)27-23(28-22)24(30)29-21(25(31)32)14-7-4-3-5-8-14/h6,9-14,21H,3-5,7-8H2,1-2H3,(H,29,30)(H,31,32)/t21-/m0/s1
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474n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50461713
PNG
(CHEMBL4229050)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CCc2ccncc2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H25Cl2N7/c29-21-5-7-22(8-6-21)37-26(23-3-1-2-4-24(23)30)34-25-27(32-19-33-28(25)37)36-17-15-35(16-18-36)14-11-20-9-12-31-13-10-20/h1-10,12-13,19H,11,14-18H2
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630n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Rattus norvegicus)
BDBM50041427
PNG
(CHEMBL3356853)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)NC1(CCCCC1)C(O)=O |(41.35,-22.47,;42.69,-23.24,;42.69,-24.79,;41.36,-25.56,;41.36,-27.11,;42.7,-27.88,;44.04,-27.1,;45.37,-27.87,;45.38,-29.42,;44.03,-25.55,;45.36,-24.78,;46.7,-25.55,;48.03,-24.77,;48.03,-23.23,;46.67,-22.47,;46.66,-20.94,;45.33,-20.18,;44.01,-20.96,;42.66,-20.21,;44.02,-22.47,;45.35,-23.24,;49.37,-25.54,;49.38,-27.08,;50.71,-24.76,;52.04,-25.53,;53.38,-26.3,;54.7,-25.53,;54.71,-23.99,;53.38,-23.22,;52.04,-23.99,;52.05,-27.08,;50.72,-27.85,;53.39,-27.84,)|
Show InChI InChI=1S/C24H24ClN3O5/c1-32-17-7-6-8-18(33-2)19(17)20-15-13-14(25)9-10-16(15)26-21(27-20)22(29)28-24(23(30)31)11-4-3-5-12-24/h6-10,13H,3-5,11-12H2,1-2H3,(H,28,29)(H,30,31)
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959n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50461714
PNG
(CHEMBL4225343)
Show SMILES Cc1c(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cnn1C
Show InChI InChI=1S/C27H26Cl2N8/c1-18-19(15-32-34(18)2)16-35-11-13-36(14-12-35)26-24-27(31-17-30-26)37(21-9-7-20(28)8-10-21)25(33-24)22-5-3-4-6-23(22)29/h3-10,15,17H,11-14,16H2,1-2H3
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990n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50461689
PNG
(CHEMBL4229155)
Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccncc1
Show InChI InChI=1S/C28H25Cl2N7/c1-19(20-10-12-31-13-11-20)35-14-16-36(17-15-35)27-25-28(33-18-32-27)37(22-8-6-21(29)7-9-22)26(34-25)23-4-2-3-5-24(23)30/h2-13,18-19H,14-17H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50461698
PNG
(CHEMBL4227354)
Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H26Cl2N6/c1-20(21-7-3-2-4-8-21)35-15-17-36(18-16-35)28-26-29(33-19-32-28)37(23-13-11-22(30)12-14-23)27(34-26)24-9-5-6-10-25(24)31/h2-14,19-20H,15-18H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50461712
PNG
(CHEMBL4229172)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C26H21Cl2N7/c27-18-8-10-19(11-9-18)35-24(20-5-1-2-6-21(20)28)32-23-25(30-17-31-26(23)35)34-15-13-33(14-16-34)22-7-3-4-12-29-22/h1-12,17H,13-16H2
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1.40E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
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