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Compile Data Set for Download or QSAR

Found 351 hits with Last Name = 'gendron' and Initial = 'l'   
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
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553771
PNG
(CHEMBL4776986)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.00300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553769
PNG
(CHEMBL4798887)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.0300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553767
PNG
(CHEMBL4789659)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.0900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553779
PNG
(CHEMBL4742999)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r|
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 0.110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50070386
PNG
(CHEMBL3408737)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1
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 0.140n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50346330
PNG
((R)-N-((S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7](-[#6]-[#6](-[#7])=O)-[#6]-1=O |r|
Show InChI InChI=1S/C29H40N8O5/c1-16-10-20(38)11-17(2)21(16)13-22(30)26(40)35-23(8-5-9-34-29(32)33)27(41)36-24-12-18-6-3-4-7-19(18)14-37(28(24)42)15-25(31)39/h3-4,6-7,10-11,22-24,38H,5,8-9,12-15,30H2,1-2H3,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23+,24-/m0/s1
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 0.150n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity to Mu-type opioid receptor (unknown origin)

ACS Med Chem Lett 8: 1177-1182 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00347
BindingDB Entry DOI: 10.7270/Q2251MRN
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553770
PNG
(CHEMBL4758754)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553768
PNG
(CHEMBL4744531)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.290n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553772
PNG
(CHEMBL4749016)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553775
PNG
(CHEMBL4745899)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.330n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553767
PNG
(CHEMBL4789659)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.430n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553777
PNG
(CHEMBL4597094)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r|
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 0.460n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553776
PNG
(CHEMBL4747286)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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 0.550n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50346330
PNG
((R)-N-((S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7](-[#6]-[#6](-[#7])=O)-[#6]-1=O |r|
Show InChI InChI=1S/C29H40N8O5/c1-16-10-20(38)11-17(2)21(16)13-22(30)26(40)35-23(8-5-9-34-29(32)33)27(41)36-24-12-18-6-3-4-7-19(18)14-37(28(24)42)15-25(31)39/h3-4,6-7,10-11,22-24,38H,5,8-9,12-15,30H2,1-2H3,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23+,24-/m0/s1
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 0.600n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity to delta-type opioid receptor (unknown origin)

ACS Med Chem Lett 8: 1177-1182 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00347
BindingDB Entry DOI: 10.7270/Q2251MRN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553769
PNG
(CHEMBL4798887)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 0.780n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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 0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
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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 1.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS1 receptor expressed in CHO-K1 cells by competitive binding assay

J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553769
PNG
(CHEMBL4798887)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553767
PNG
(CHEMBL4789659)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
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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 1.40n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS1 receptor expressed in CHO-K1 cells by competitive binding assay

J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50070386
PNG
(CHEMBL3408737)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Diprenorphine from recombinant human delta opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scinti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553775
PNG
(CHEMBL4745899)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553773
PNG
(CHEMBL4742666)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553773
PNG
(CHEMBL4742666)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553771
PNG
(CHEMBL4776986)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553768
PNG
(CHEMBL4744531)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553779
PNG
(CHEMBL4742999)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r|
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TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553778
PNG
(CHEMBL4740539)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(O)=O |r|
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TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553780
PNG
(CHEMBL4762684)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r|
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TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553777
PNG
(CHEMBL4597094)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r|
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 3.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553771
PNG
(CHEMBL4776986)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553776
PNG
(CHEMBL4747286)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553766
PNG
(CHEMBL4761165)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)(C)C)C(O)=O |r|
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 4.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553768
PNG
(CHEMBL4744531)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 4.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
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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 5.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS2 receptor expressed in CHO-K1 cells by competitive binding assay

J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
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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 6n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting

J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553774
PNG
(CHEMBL4750783)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 6.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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 6.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [3H]-deltorphin 2 from delta opioid receptor in rat GH3 cells after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 23: 5267-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.020
BindingDB Entry DOI: 10.7270/Q2QJ7M8B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553772
PNG
(CHEMBL4749016)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 7.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50553770
PNG
(CHEMBL4758754)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 7.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553775
PNG
(CHEMBL4745899)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553770
PNG
(CHEMBL4758754)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553780
PNG
(CHEMBL4762684)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r|
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 13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50553772
PNG
(CHEMBL4749016)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter metho...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50070386
PNG
(CHEMBL3408737)
Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1
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 17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-U69593 from recombinant human kappa opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
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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 19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting

J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50553775
PNG
(CHEMBL4745899)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
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 20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-U69593 from recombinant human kappa opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50553773
PNG
(CHEMBL4742666)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(C)(C)C)C(O)=O |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-U69593 from recombinant human kappa opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))		BDBM50553782
PNG
(CHEMBL4799352)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01376
BindingDB Entry DOI: 10.7270/Q2H41W2P
More data for this
Ligand-Target Pair
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