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PubMed code 1652025

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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


(Cavia porcellus (domestic guinea pig))		BDBM50001108
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
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 0.200n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007159
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-20(25)24-9-5-19-15(6-10-26-19)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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 0.220n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1
Show InChI InChI=1/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/s2
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 0.240n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007158
PNG
((S)-2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylme...)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1
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 0.310n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007166
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-19(25)24-9-5-15-6-10-26-20(15)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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 0.460n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007165
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-piperidin-1-ylmethyl-...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1Cl
Show InChI InChI=1/C21H24Cl2N2OS/c22-17-5-4-15(12-18(17)23)13-21(26)25-10-6-20-16(7-11-27-20)19(25)14-24-8-2-1-3-9-24/h4-5,7,11-12,19H,1-3,6,8-10,13-14H2
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 0.470n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50453088
PNG
(CHEMBL2114226)
Show SMILES CCO.OC(C(O)C(O)=O)C(O)=O.CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C20H22Cl2N2O.C4H6O6.C2H6O/c1-23(2)13-19-16-6-4-3-5-15(16)9-10-24(19)20(25)12-14-7-8-17(21)18(22)11-14;5-1(3(7)8)2(6)4(9)10;1-2-3/h3-8,11,19H,9-10,12-13H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);3H,2H2,1H3
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 0.510n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007167
PNG
(1-(4-Piperidin-1-ylmethyl-6,7-dihydro-4H-thieno[3,...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1
Show InChI InChI=1/C22H25F3N2OS/c23-22(24,25)17-6-4-16(5-7-17)14-21(28)27-12-8-20-18(9-13-29-20)19(27)15-26-10-2-1-3-11-26/h4-7,9,13,19H,1-3,8,10-12,14-15H2
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 0.600n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007157
PNG
((-)-1-(1-Piperidin-1-ylmethyl-3,4-dihydro-1H-isoqu...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCCC2)cc1
Show InChI InChI=1/C24H27F3N2O/c25-24(26,27)20-10-8-18(9-11-20)16-23(30)29-15-12-19-6-2-3-7-21(19)22(29)17-28-13-4-1-5-14-28/h2-3,6-11,22H,1,4-5,12-17H2
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 0.620n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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 0.640n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/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-/s2
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 2.20n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/s2
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 3.30n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1
Show InChI InChI=1/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/s2
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 11n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001108
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
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 30n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50007166
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-19(25)24-9-5-15-6-10-26-20(15)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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 47n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50007159
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-20(25)24-9-5-19-15(6-10-26-19)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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 47n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007162
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C24H25Cl2N3O/c25-19-8-7-16(13-20(19)26)14-23(30)29-12-9-18-17-5-1-2-6-21(17)27-24(18)22(29)15-28-10-3-4-11-28/h1-2,5-8,13,22,27H,3-4,9-12,14-15H2
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>100n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50007163
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3[nH]c4ccccc4c3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C24H25Cl2N3O/c25-18-8-7-16(13-19(18)26)14-23(30)29-12-9-21-24(17-5-1-2-6-20(17)27-21)22(29)15-28-10-3-4-11-28/h1-2,5-8,13,22,27H,3-4,9-12,14-15H2
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 100n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50001108
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
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 113n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1
Show InChI InChI=1/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/s2
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 149n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor delta sites.

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50007159
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-20(25)24-9-5-19-15(6-10-26-19)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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 153n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50007157
PNG
((-)-1-(1-Piperidin-1-ylmethyl-3,4-dihydro-1H-isoqu...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCCC2)cc1
Show InChI InChI=1/C24H27F3N2O/c25-24(26,27)20-10-8-18(9-11-20)16-23(30)29-15-12-19-6-2-3-7-21(19)22(29)17-28-13-4-1-5-14-28/h2-3,6-11,22H,1,4-5,12-17H2
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 231n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50453088
PNG
(CHEMBL2114226)
Show SMILES CCO.OC(C(O)C(O)=O)C(O)=O.CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C20H22Cl2N2O.C4H6O6.C2H6O/c1-23(2)13-19-16-6-4-3-5-15(16)9-10-24(19)20(25)12-14-7-8-17(21)18(22)11-14;5-1(3(7)8)2(6)4(9)10;1-2-3/h3-8,11,19H,9-10,12-13H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);3H,2H2,1H3
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 293n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/s2
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 301n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50007166
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-19(25)24-9-5-15-6-10-26-20(15)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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 362n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50007167
PNG
(1-(4-Piperidin-1-ylmethyl-6,7-dihydro-4H-thieno[3,...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1
Show InChI InChI=1/C22H25F3N2OS/c23-22(24,25)17-6-4-16(5-7-17)14-21(28)27-12-8-20-18(9-13-29-20)19(27)15-26-10-2-1-3-11-26/h4-7,9,13,19H,1-3,8,10-12,14-15H2
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 420n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50007165
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-piperidin-1-ylmethyl-...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1Cl
Show InChI InChI=1/C21H24Cl2N2OS/c22-17-5-4-15(12-18(17)23)13-21(26)25-10-6-20-16(7-11-27-20)19(25)14-24-8-2-1-3-9-24/h4-5,7,11-12,19H,1-3,6,8-10,13-14H2
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 445n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/s2
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 456n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/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-/s2
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 616n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50453088
PNG
(CHEMBL2114226)
Show SMILES CCO.OC(C(O)C(O)=O)C(O)=O.CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C20H22Cl2N2O.C4H6O6.C2H6O/c1-23(2)13-19-16-6-4-3-5-15(16)9-10-24(19)20(25)12-14-7-8-17(21)18(22)11-14;5-1(3(7)8)2(6)4(9)10;1-2-3/h3-8,11,19H,9-10,12-13H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);3H,2H2,1H3
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 746n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor delta sites.

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50007163
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3[nH]c4ccccc4c3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C24H25Cl2N3O/c25-18-8-7-16(13-19(18)26)14-23(30)29-12-9-21-24(17-5-1-2-6-20(17)27-21)22(29)15-28-10-3-4-11-28/h1-2,5-8,13,22,27H,3-4,9-12,14-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1
Show InChI InChI=1/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor delta sites.

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50007167
PNG
(1-(4-Piperidin-1-ylmethyl-6,7-dihydro-4H-thieno[3,...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1
Show InChI InChI=1/C22H25F3N2OS/c23-22(24,25)17-6-4-16(5-7-17)14-21(28)27-12-8-20-18(9-13-29-20)19(27)15-26-10-2-1-3-11-26/h4-7,9,13,19H,1-3,8,10-12,14-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50007162
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C24H25Cl2N3O/c25-19-8-7-16(13-20(19)26)14-23(30)29-12-9-18-17-5-1-2-6-21(17)27-24(18)22(29)15-28-10-3-4-11-28/h1-2,5-8,13,22,27H,3-4,9-12,14-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1
Show InChI InChI=1/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor delta sites.

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1
Show InChI InChI=1/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50007163
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3[nH]c4ccccc4c3C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C24H25Cl2N3O/c25-18-8-7-16(13-19(18)26)14-23(30)29-12-9-21-24(17-5-1-2-6-20(17)27-21)22(29)15-28-10-3-4-11-28/h1-2,5-8,13,22,27H,3-4,9-12,14-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50007158
PNG
((S)-2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylme...)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50007165
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-piperidin-1-ylmethyl-...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1Cl
Show InChI InChI=1/C21H24Cl2N2OS/c22-17-5-4-15(12-18(17)23)13-21(26)25-10-6-20-16(7-11-27-20)19(25)14-24-8-2-1-3-9-24/h4-5,7,11-12,19H,1-3,6,8-10,13-14H2
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Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50007157
PNG
((-)-1-(1-Piperidin-1-ylmethyl-3,4-dihydro-1H-isoqu...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCCC2)cc1
Show InChI InChI=1/C24H27F3N2O/c25-24(26,27)20-10-8-18(9-11-20)16-23(30)29-15-12-19-6-2-3-7-21(19)22(29)17-28-13-4-1-5-14-28/h2-3,6-11,22H,1,4-5,12-17H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor delta sites.

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50007162
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2CN2CCCC2)cc1Cl
Show InChI InChI=1/C24H25Cl2N3O/c25-19-8-7-16(13-20(19)26)14-23(30)29-12-9-18-17-5-1-2-6-21(17)27-24(18)22(29)15-28-10-3-4-11-28/h1-2,5-8,13,22,27H,3-4,9-12,14-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was measured on opioid receptor delta sites.

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50007158
PNG
((S)-2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylme...)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1
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 1.56E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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 2.34E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor mu sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/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-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for opioid receptor delta sites

J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%