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Compile Data Set for Download or QSAR

Found 964 hits with Last Name = 'song' and Initial = 'q'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50174573
PNG
(CHEMBL3808477)
Show SMILES Clc1ccc2C(=O)CC(C(=O)N3CCc4ccccc4C3CN3CCCC3)c2c1
Show InChI InChI=1S/C24H25ClN2O2/c25-17-7-8-19-20(13-17)21(14-23(19)28)24(29)27-12-9-16-5-1-2-6-18(16)22(27)15-26-10-3-4-11-26/h1-2,5-8,13,21-22H,3-4,9-12,14-15H2
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 0.0330n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...

Bioorg Med Chem 24: 2964-2970 (2016)


Article DOI: 10.1016/j.bmc.2016.05.002
BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50557532
PNG
(CHEMBL4792421)
Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC
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 0.0820n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of Electrophorus electricus AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins follow...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116074
BindingDB Entry DOI: 10.7270/Q2HX1HBN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50174570
PNG
(CHEMBL3808824)
Show SMILES [I-].CCCC[N+]1(CC2N(CCc3ccccc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1
Show InChI InChI=1S/C28H34ClN2O2.HI/c1-2-3-14-31(15-6-7-16-31)19-26-22-9-5-4-8-20(22)12-13-30(26)28(33)25-18-27(32)23-11-10-21(29)17-24(23)25;/h4-5,8-11,17,25-26H,2-3,6-7,12-16,18-19H2,1H3;1H/q+1;/p-1
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 0.940n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...

Bioorg Med Chem 24: 2964-2970 (2016)


Article DOI: 10.1016/j.bmc.2016.05.002
BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50174571
PNG
(CHEMBL3809310)
Show SMILES [Br-].Clc1ccc2C(=O)CC(C(=O)N3CCc4ccccc4C3C[N+]3(CC=C)CCCC3)c2c1
Show InChI InChI=1S/C27H30ClN2O2.BrH/c1-2-13-30(14-5-6-15-30)18-25-21-8-4-3-7-19(21)11-12-29(25)27(32)24-17-26(31)22-10-9-20(28)16-23(22)24;/h2-4,7-10,16,24-25H,1,5-6,11-15,17-18H2;1H/q+1;/p-1
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 1.90n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...

Bioorg Med Chem 24: 2964-2970 (2016)


Article DOI: 10.1016/j.bmc.2016.05.002
BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50174572
PNG
(CHEMBL3809782)
Show SMILES [Br-].Clc1ccc2C(=O)CC(C(=O)N3CCc4ccccc4C3C[N+]3(CC4CC4)CCCC3)c2c1
Show InChI InChI=1S/C28H32ClN2O2.BrH/c29-21-9-10-23-24(15-21)25(16-27(23)32)28(33)30-12-11-20-5-1-2-6-22(20)26(30)18-31(13-3-4-14-31)17-19-7-8-19;/h1-2,5-6,9-10,15,19,25-26H,3-4,7-8,11-14,16-18H2;1H/q+1;/p-1
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 3.60n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...

Bioorg Med Chem 24: 2964-2970 (2016)


Article DOI: 10.1016/j.bmc.2016.05.002
BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 6.10n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...

Bioorg Med Chem 24: 2964-2970 (2016)


Article DOI: 10.1016/j.bmc.2016.05.002
BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 12n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 14n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50264574
PNG
(CHEMBL4090064)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(Cl)c1
Show InChI InChI=1S/C26H26ClFN2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)
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 16n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50264566
PNG
(CHEMBL4062024)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1
Show InChI InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)
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 28n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50264565
PNG
(CHEMBL4069892)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 29n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50264564
PNG
(CHEMBL4082214)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(Cl)c1
Show InChI InChI=1S/C26H27ClN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 32n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50264564
PNG
(CHEMBL4082214)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(Cl)c1
Show InChI InChI=1S/C26H27ClN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 38n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50264566
PNG
(CHEMBL4062024)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1
Show InChI InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)
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 43n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50264565
PNG
(CHEMBL4069892)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 63n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50602006
PNG
(CHEMBL5209436)
Show SMILES ONC(=O)CN(c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(Br)cc1
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 65n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129043
BindingDB Entry DOI: 10.7270/Q23N27G1
More data for this
Ligand-Target Pair
Cocaine esterase


(Homo sapiens (Human))		BDBM50552232
PNG
(CHEMBL4776624)
Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCC2)ccc1O
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 68n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by su...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112856
BindingDB Entry DOI: 10.7270/Q2NZ8CB7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 91n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 92n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 94n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))		BDBM50188594
PNG
(CHEBI:62878 | CHEMBL1086580)
Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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 100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))		BDBM50188594
PNG
(CHEBI:62878 | CHEMBL1086580)
Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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 100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 105n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opiod receptor expressed in human HEK293 cells incubated for 60 mins by liquid scintillation counting met...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit epsilon


(Homo sapiens (Human))		BDBM50596341
PNG
(CHEMBL5176418)
Show SMILES CCN(CCCCCCn1nc(ccc1=O)-c1cc(ccc1O)N(C)C)Cc1ccccc1N(C)C
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 120n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114098
BindingDB Entry DOI: 10.7270/Q20R9TFC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50174576
PNG
(CHEMBL3809031)
Show SMILES [I-].C[N+]1(CC2N(CCc3ccc(F)cc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1
Show InChI InChI=1S/C25H27ClFN2O2.HI/c1-29(10-2-3-11-29)15-23-20-13-18(27)6-4-16(20)8-9-28(23)25(31)22-14-24(30)19-7-5-17(26)12-21(19)22;/h4-7,12-13,22-23H,2-3,8-11,14-15H2,1H3;1H/q+1;/p-1
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 138n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...

Bioorg Med Chem 24: 2964-2970 (2016)


Article DOI: 10.1016/j.bmc.2016.05.002
BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50542605
PNG
(CHEMBL4648915)
Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)
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 180n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50264574
PNG
(CHEMBL4090064)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(Cl)c1
Show InChI InChI=1S/C26H26ClFN2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)
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 191n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50264574
PNG
(CHEMBL4090064)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(Cl)c1
Show InChI InChI=1S/C26H26ClFN2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)
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 220n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50174575
PNG
(CHEMBL3808514)
Show SMILES [I-].C[N+]1(CC2N(CCc3cc(O)ccc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1
Show InChI InChI=1S/C25H27ClN2O3.HI/c1-28(10-2-3-11-28)15-23-19-7-5-18(29)12-16(19)8-9-27(23)25(31)22-14-24(30)20-6-4-17(26)13-21(20)22;/h4-7,12-13,22-23H,2-3,8-11,14-15H2,1H3;1H
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 231n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...

Bioorg Med Chem 24: 2964-2970 (2016)


Article DOI: 10.1016/j.bmc.2016.05.002
BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50264565
PNG
(CHEMBL4069892)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 267n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50264566
PNG
(CHEMBL4062024)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1
Show InChI InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)
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 429n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50264564
PNG
(CHEMBL4082214)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(Cl)c1
Show InChI InChI=1S/C26H27ClN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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 489n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count...

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50542606
PNG
(CHEMBL4636535)
Show SMILES ONC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccc(F)c3)cc2)c(F)c1
Show InChI InChI=1S/C24H22F2N2O3/c25-19-4-1-3-17(13-19)22-5-2-12-28(22)15-16-6-9-20(10-7-16)31-23-11-8-18(14-21(23)26)24(29)27-30/h1,3-4,6-11,13-14,22,30H,2,5,12,15H2,(H,27,29)
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 498n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50569012
PNG
(CHEMBL4865817)
Show SMILES CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
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 500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of electric eel AChE by reciprocal Lineweaver-Burk plot analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113310
BindingDB Entry DOI: 10.7270/Q28G8QGX
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))		BDBM50094490
PNG
(CHEMBL3589156)
Show SMILES OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)
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 1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach

Citation and Details
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)		BDBM50602006
PNG
(CHEMBL5209436)
Show SMILES ONC(=O)CN(c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(Br)cc1
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 1.20E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129043
BindingDB Entry DOI: 10.7270/Q23N27G1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50542608
PNG
(CHEMBL4638966)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc3c(c2)o[nH]c3=O)cc1
Show InChI InChI=1S/C26H26N2O3/c1-17-12-18(2)14-20(13-17)24-4-3-11-28(24)16-19-5-7-21(8-6-19)30-22-9-10-23-25(15-22)31-27-26(23)29/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H,27,29)
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 1.41E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50542608
PNG
(CHEMBL4638966)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc3c(c2)o[nH]c3=O)cc1
Show InChI InChI=1S/C26H26N2O3/c1-17-12-18(2)14-20(13-17)24-4-3-11-28(24)16-19-5-7-21(8-6-19)30-22-9-10-23-25(15-22)31-27-26(23)29/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H,27,29)
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 1.48E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Cocaine esterase


(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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 1.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CES2A using 4-methylumbelliferone as a substrate

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112856
BindingDB Entry DOI: 10.7270/Q2NZ8CB7
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))		BDBM50094590
PNG
(CHEMBL3589012)
Show SMILES Nc1nonc1C(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
Show InChI InChI=1S/C22H18N4S/c1-14(15-8-3-2-4-9-15)26-17-11-6-5-10-16(17)19-20(23)24-21(25-22(19)26)18-12-7-13-27-18/h2-14H,1H3,(H2,23,24,25)/t14-/m0/s1
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 1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach

Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50264572
PNG
(CHEMBL4087860)
Show SMILES Cc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1
Show InChI InChI=1S/C29H28N2O2/c1-20-6-4-7-22(18-20)27-10-5-17-31(27)19-21-11-13-23(14-12-21)33-28-16-15-26(29(30)32)24-8-2-3-9-25(24)28/h2-4,6-9,11-16,18,27H,5,10,17,19H2,1H3,(H2,30,32)
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 1.74E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50542607
PNG
(CHEMBL4644052)
Show SMILES COc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(=O)NO)cc1
Show InChI InChI=1S/C25H25FN2O4/c1-31-21-5-2-4-18(14-21)23-6-3-13-28(23)16-17-7-10-20(11-8-17)32-24-12-9-19(15-22(24)26)25(29)27-30/h2,4-5,7-12,14-15,23,30H,3,6,13,16H2,1H3,(H,27,29)
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 2.15E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human kappa opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50542605
PNG
(CHEMBL4648915)
Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)
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 2.31E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))		BDBM50094510
PNG
(CHEMBL3589019)
Show SMILES Nc1nonc1NC(=O)Cn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H9N9O3/c15-10-11(20-25-19-10)16-8(24)5-23-7-4-2-1-3-6(7)9-14(23)18-13-12(17-9)21-26-22-13/h1-4H,5H2,(H2,15,19)(H,16,20,24)
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 2.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity for CCK2 receptor assessed by inhibition of pentagastrin-stimulated acid secretion in perfused rat stomach

Citation and Details
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50542606
PNG
(CHEMBL4636535)
Show SMILES ONC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccc(F)c3)cc2)c(F)c1
Show InChI InChI=1S/C24H22F2N2O3/c25-19-4-1-3-17(13-19)22-5-2-12-28(22)15-16-6-9-20(10-7-16)31-23-11-8-18(14-21(23)26)24(29)27-30/h1,3-4,6-11,13-14,22,30H,2,5,12,15H2,(H,27,29)
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 2.80E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50264573
PNG
(CHEMBL4067922)
Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1
Show InChI InChI=1S/C29H28N2O3/c1-33-22-14-10-21(11-15-22)27-7-4-18-31(27)19-20-8-12-23(13-9-20)34-28-17-16-26(29(30)32)24-5-2-3-6-25(24)28/h2-3,5-6,8-17,27H,4,7,18-19H2,1H3,(H2,30,32)
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 4.60E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50542607
PNG
(CHEMBL4644052)
Show SMILES COc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(=O)NO)cc1
Show InChI InChI=1S/C25H25FN2O4/c1-31-21-5-2-4-18(14-21)23-6-3-13-28(23)16-17-7-10-20(11-8-17)32-24-12-9-19(15-22(24)26)25(29)27-30/h2,4-5,7-12,14-15,23,30H,3,6,13,16H2,1H3,(H,27,29)
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 4.76E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50542608
PNG
(CHEMBL4638966)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc3c(c2)o[nH]c3=O)cc1
Show InChI InChI=1S/C26H26N2O3/c1-17-12-18(2)14-20(13-17)24-4-3-11-28(24)16-19-5-7-21(8-6-19)30-22-9-10-23-25(15-22)31-27-26(23)29/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H,27,29)
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 5.01E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opiod receptor expressed in human HEK293 cells incubated for 60 mins by liquid scintillation counting met...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))		BDBM50408056
PNG
(CHEMBL5274911)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C55H91N19O13S/c56-35(16-6-20-63-53(57)58)45(79)69-36(17-7-21-64-54(59)60)49(83)72-23-9-19-40(72)50(84)74-28-33(76)25-41(74)48(82)66-27-42(77)68-38(26-34-15-10-24-88-34)46(80)70-39(30-75)47(81)71-44(31-11-4-5-12-31)51(85)73(32-13-2-1-3-14-32)29-43(78)67-37(52(86)87)18-8-22-65-55(61)62/h10,15,24,31-33,35-41,44,75-76H,1-9,11-14,16-23,25-30,56H2,(H,66,82)(H,67,78)(H,68,77)(H,69,79)(H,70,80)(H,71,81)(H,86,87)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)/t33-,35+,36+,37+,38+,39+,40+,41+,44-/m1/s1
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 5.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against bradykinin B2 receptor

Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50174574
PNG
(CHEMBL3809729)
Show SMILES [I-].C[N+]1(CC2N(CCc3ccccc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1
Show InChI InChI=1S/C25H28ClN2O2.HI/c1-28(12-4-5-13-28)16-23-19-7-3-2-6-17(19)10-11-27(23)25(30)22-15-24(29)20-9-8-18(26)14-21(20)22;/h2-3,6-9,14,22-23H,4-5,10-13,15-16H2,1H3;1H/q+1;/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...

Bioorg Med Chem 24: 2964-2970 (2016)


Article DOI: 10.1016/j.bmc.2016.05.002
BindingDB Entry DOI: 10.7270/Q2P84DTT
More data for this
Ligand-Target Pair
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