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Compile Data Set for Download or QSAR

Found 773 hits with Last Name = 'sanchez' and Initial = 'j'   
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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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 0.268n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50585129
PNG
(CHEMBL5077645)
Show SMILES [H][C@@]12CCC[C@@](CCN1C\C=C\c1ccccc1)([C@@H]2O)c1cccc(O)c1 |r,THB:9:8:4.3.2:18|
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 0.377n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50585128
PNG
(CHEMBL5080654)
Show SMILES [H][C@@]12CCC[C@@](CCN1CCc1ccccc1)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:17|
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 0.633n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50585107
PNG
(CHEMBL5085974)
Show SMILES CN(C)C(=O)C(CCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
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 0.832n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50585112
PNG
(CHEMBL5088070)
Show SMILES CCc1cccc(N2CCN(CCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1Cl
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 0.842n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintill...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434389
PNG
(CHEMBL2387288)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cccs2)cc1
Show InChI InChI=1S/C21H28N4OS/c1-16-4-2-11-25(16)19-10-12-24(15-19)18-8-6-17(7-9-18)23-21(26)22-14-20-5-3-13-27-20/h3,5-9,13,16,19H,2,4,10-12,14-15H2,1H3,(H2,22,23,26)
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 1.90n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50585122
PNG
(CHEMBL5081136)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCNCCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)c1O |r|
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 2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintill...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434382
PNG
(CHEMBL2387309)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c(F)c1
Show InChI InChI=1S/C21H25F2N3O2/c22-16-5-10-20(19(23)15-16)25-21(27)24-17-6-8-18(9-7-17)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,24,25,27)
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 3.40n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434405
PNG
(CHEMBL2387306)
Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c1
Show InChI InChI=1S/C21H25Cl2N3O2/c22-16-13-17(23)15-19(14-16)25-21(27)24-18-5-7-20(8-6-18)28-12-4-11-26-9-2-1-3-10-26/h5-8,13-15H,1-4,9-12H2,(H2,24,25,27)
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 3.40n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 3.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintill...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434401
PNG
(CHEMBL2387314)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C22H34N4O/c1-17-6-5-14-26(17)21-13-15-25(16-21)20-11-9-19(10-12-20)24-22(27)23-18-7-3-2-4-8-18/h9-12,17-18,21H,2-8,13-16H2,1H3,(H2,23,24,27)
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 4.10n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 4.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintill...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434400
PNG
(CHEMBL2387315)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)c(C)c1
Show InChI InChI=1S/C23H36N4O/c1-17-15-20(26-14-12-21(16-26)27-13-6-7-18(27)2)10-11-22(17)25-23(28)24-19-8-4-3-5-9-19/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H2,24,25,28)
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 4.60n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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 5.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434392
PNG
(CHEMBL2387285)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C21H32N4O/c1-17-6-5-14-25(17)20-11-15-24(16-20)19-9-7-18(8-10-19)22-21(26)23-12-3-2-4-13-23/h7-10,17,20H,2-6,11-16H2,1H3,(H,22,26)
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 6n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434387
PNG
(CHEMBL2387290)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C23H28Cl2N4O/c1-16-3-2-9-29(16)22-8-10-28(15-22)21-6-4-20(5-7-21)27-23(30)26-14-17-11-18(24)13-19(25)12-17/h4-7,11-13,16,22H,2-3,8-10,14-15H2,1H3,(H2,26,27,30)
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 7.10n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434388
PNG
(CHEMBL2387289)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cccs2)cc1C
Show InChI InChI=1S/C22H30N4OS/c1-16-13-18(24-22(27)23-14-20-6-4-12-28-20)7-8-21(16)25-11-9-19(15-25)26-10-3-5-17(26)2/h4,6-8,12-13,17,19H,3,5,9-11,14-15H2,1-2H3,(H2,23,24,27)
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 8.40n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50585122
PNG
(CHEMBL5081136)
Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCNCCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)c1O |r|
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 9.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintill...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434393
PNG
(CHEMBL2387284)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C26H35N5O/c1-21-6-5-14-31(21)25-13-15-30(20-25)24-11-9-22(10-12-24)27-26(32)29-18-16-28(17-19-29)23-7-3-2-4-8-23/h2-4,7-12,21,25H,5-6,13-20H2,1H3,(H,27,32)
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 11n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434399
PNG
(CHEMBL2387316)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)cc1C
Show InChI InChI=1S/C23H36N4O/c1-17-15-20(25-23(28)24-19-8-4-3-5-9-19)10-11-22(17)26-14-12-21(16-26)27-13-6-7-18(27)2/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H2,24,25,28)
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 11n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434397
PNG
(CHEMBL2387318)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)c(C)c1
Show InChI InChI=1S/C22H35N5O/c1-17-15-19(26-10-8-20(16-26)27-9-4-5-18(27)2)6-7-21(17)23-22(28)25-13-11-24(3)12-14-25/h6-7,15,18,20H,4-5,8-14,16H2,1-3H3,(H,23,28)
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 11n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50401672
PNG
(DIPHENOXYLATE)
Show SMILES CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
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 12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50585103
PNG
(CHEMBL5093200)
Show SMILES CN(C)CCC(C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
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 12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintill...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM82507
PNG
((+/-)-Methadone | CAS_5967-73-7 | METHADONE | Meth...)
Show SMILES CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
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 13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434396
PNG
(CHEMBL2387319)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)cc1C
Show InChI InChI=1S/C22H35N5O/c1-17-15-19(23-22(28)25-13-11-24(3)12-14-25)6-7-21(17)26-10-8-20(16-26)27-9-4-5-18(27)2/h6-7,15,18,20H,4-5,8-14,16H2,1-3H3,(H,23,28)
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 13n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50585133
PNG
(CHEMBL5077114)
Show SMILES [H][C@@]12CCC[C@@](CCN1C[C@H]1C[C@@H]1CCNC(=O)c1cc3ccccc3[nH]1)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:27|
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 14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434381
PNG
(CHEMBL2387310)
Show SMILES CCN(CC)CCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1
Show InChI InChI=1S/C23H33N3O2S/c1-5-26(6-2)15-16-27-21-11-7-19(8-12-21)24-23(29)25-20-9-13-22(14-10-20)28-17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,24,25,29)
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 16n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50435303
PNG
(CHEMBL2391167)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)
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 17n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor

Bioorg Med Chem Lett 23: 3421-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.081
BindingDB Entry DOI: 10.7270/Q2HH6MGF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50585113
PNG
(CHEMBL5074399)
Show SMILES CCc1cccc(N2CCN(CCCCNCCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1Cl
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 18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintill...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434383
PNG
(CHEMBL2387307)
Show SMILES Cc1c(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)cc1Cl
Show InChI InChI=1S/C22H27Cl2N3O2/c1-16-20(23)14-18(15-21(16)24)26-22(28)25-17-6-8-19(9-7-17)29-13-5-12-27-10-3-2-4-11-27/h6-9,14-15H,2-5,10-13H2,1H3,(H2,25,26,28)
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 18n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50585108
PNG
(CHEMBL5084145)
Show SMILES CN(C)C(=O)C(CCN1CCc2ccc(cc2C1)C#N)(c1ccccc1)c1ccccc1
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 18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50585127
PNG
(CHEMBL5083441)
Show SMILES CCc1cccc(N2CCN(CCC(c3cccc(O)c3)c3cccc(O)c3)CC2)c1Cl
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 19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintill...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434404
PNG
(CHEMBL2387311)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C22H26Cl2N4O/c1-15-3-2-9-28(15)21-8-10-27(14-21)20-6-4-18(5-7-20)25-22(29)26-19-12-16(23)11-17(24)13-19/h4-7,11-13,15,21H,2-3,8-10,14H2,1H3,(H2,25,26,29)
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 19n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50585112
PNG
(CHEMBL5088070)
Show SMILES CCc1cccc(N2CCN(CCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1Cl
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 20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintilla...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50585132
PNG
(CHEMBL5083186)
Show SMILES [H][C@@]12CCC[C@@](CCN1CC1CC1CCNC(=O)c1cc3ccccc3[nH]1)(\C2=C\C(=O)OCC)c1cccc(O)c1 |r,THB:9:8:4.3.2:27|
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 20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434403
PNG
(CHEMBL2387312)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1
Show InChI InChI=1S/C23H28Cl2N4O/c1-15-10-20(28-9-7-21(14-28)29-8-3-4-16(29)2)5-6-22(15)27-23(30)26-19-12-17(24)11-18(25)13-19/h5-6,10-13,16,21H,3-4,7-9,14H2,1-2H3,(H2,26,27,30)
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 22n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434394
PNG
(CHEMBL2387283)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(CC2)C(C)=O)cc1C
Show InChI InChI=1S/C23H35N5O2/c1-17-15-20(24-23(30)26-13-11-25(12-14-26)19(3)29)6-7-22(17)27-10-8-21(16-27)28-9-4-5-18(28)2/h6-7,15,18,21H,4-5,8-14,16H2,1-3H3,(H,24,30)
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 23n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50585110
PNG
(CHEMBL5073754)
Show SMILES CN(C)C(=O)C(CCNCCCCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
PDB

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 23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintilla...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50585110
PNG
(CHEMBL5073754)
Show SMILES CN(C)C(=O)C(CCNCCCCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
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 24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434398
PNG
(CHEMBL2387317)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C21H33N5O/c1-17-4-3-10-26(17)20-9-11-25(16-20)19-7-5-18(6-8-19)22-21(27)24-14-12-23(2)13-15-24/h5-8,17,20H,3-4,9-16H2,1-2H3,(H,22,27)
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 26n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50585101
PNG
(CHEMBL5089655)
Show SMILES Clc1cccc(N2CCN(CCCCNCCC(C#N)(c3ccccc3)c3ccccc3)CC2)c1Cl
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 26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintill...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434386
PNG
(CHEMBL2387291)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2)cc1C
Show InChI InChI=1S/C24H30Cl2N4O/c1-16-10-21(28-24(31)27-14-18-11-19(25)13-20(26)12-18)5-6-23(16)29-9-7-22(15-29)30-8-3-4-17(30)2/h5-6,10-13,17,22H,3-4,7-9,14-15H2,1-2H3,(H2,27,28,31)
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 29n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50585107
PNG
(CHEMBL5085974)
Show SMILES CN(C)C(=O)C(CCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
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 31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintilla...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50434382
PNG
(CHEMBL2387309)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c(F)c1
Show InChI InChI=1S/C21H25F2N3O2/c22-16-5-10-20(19(23)15-16)25-21(27)24-17-6-8-18(9-7-17)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,24,25,27)
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 33n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rat histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analy...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)		BDBM50585110
PNG
(CHEMBL5073754)
Show SMILES CN(C)C(=O)C(CCNCCCCN1CCN(CC1)c1cccc(Cl)c1Cl)(c1ccccc1)c1ccccc1
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 34n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintilla...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434395
PNG
(CHEMBL2387282)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(CC2)C(C)=O)cc1
Show InChI InChI=1S/C22H33N5O2/c1-17-4-3-10-27(17)21-9-11-26(16-21)20-7-5-19(6-8-20)23-22(29)25-14-12-24(13-15-25)18(2)28/h5-8,17,21H,3-4,9-16H2,1-2H3,(H,23,29)
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 34n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))		BDBM50434391
PNG
(CHEMBL2387286)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCC(C2)N(C)C(C)=O)cc1
Show InChI InChI=1S/C23H35N5O2/c1-17-5-4-12-28(17)22-11-13-26(16-22)20-8-6-19(7-9-20)24-23(30)27-14-10-21(15-27)25(3)18(2)29/h6-9,17,21-22H,4-5,10-16H2,1-3H3,(H,24,30)
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 36n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...

Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50585101
PNG
(CHEMBL5089655)
Show SMILES Clc1cccc(N2CCN(CCCCNCCC(C#N)(c3ccccc3)c3ccccc3)CC2)c1Cl
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 36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintilla...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50585104
PNG
(Eucopon | HOECHST 10582 | HOECHST-10582 | IDS-NN-0...)
Show SMILES CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1
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 36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00611
BindingDB Entry DOI: 10.7270/Q2N301V5
More data for this
Ligand-Target Pair
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