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PubMed code 15863335

Compile data set for download or QSAR
Found 111 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


(Homo sapiens (human))
BDBM50007344
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166621
PNG
(CHEMBL191987 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C22H29N3O4S/c1-24(22(27)14-17-8-10-19(11-9-17)23-30(2,28)29)21(18-6-4-3-5-7-18)16-25-13-12-20(26)15-25/h3-11,20-21,23,26H,12-16H2,1-2H3/t20-,21+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166619
PNG
(CHEMBL425897 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H31N3O4S/c1-25(22(20-6-4-3-5-7-20)17-26-13-12-21(27)16-26)23(28)14-18-8-10-19(11-9-18)15-24-31(2,29)30/h3-11,21-22,24,27H,12-17H2,1-2H3/t21-,22+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166613
PNG
(2-{4-[(Butane-1-sulfonylamino)-methyl]-phenyl}-N-[...)
Show SMILES CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C26H37N3O4S/c1-3-4-16-34(32,33)27-18-22-12-10-21(11-13-22)17-26(31)28(2)25(23-8-6-5-7-9-23)20-29-15-14-24(30)19-29/h5-13,24-25,27,30H,3-4,14-20H2,1-2H3/t24-,25+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166626
PNG
(CHEMBL363822 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-3-15-33(31,32)26-17-21-11-9-20(10-12-21)16-25(30)27(2)24(22-7-5-4-6-8-22)19-28-14-13-23(29)18-28/h4-12,23-24,26,29H,3,13-19H2,1-2H3/t23-,24+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166614
PNG
(CHEMBL189643 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-31(28(26-10-6-3-7-11-26)21-32-17-16-27(33)20-32)29(34)18-23-12-14-24(15-13-23)19-30-37(35,36)22-25-8-4-2-5-9-25/h2-15,27-28,30,33H,16-22H2,1H3/t27-,28+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166615
PNG
(2-[4-(Ethanesulfonylamino-methyl)-phenyl]-N-[(S)-2...)
Show SMILES CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(30,31)25-16-20-11-9-19(10-12-20)15-24(29)26(2)23(21-7-5-4-6-8-21)18-27-14-13-22(28)17-27/h4-12,22-23,25,28H,3,13-18H2,1-2H3/t22-,23+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166618
PNG
(CHEMBL192718 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-27(24(22-8-4-3-5-9-22)19-28-16-14-23(29)18-28)25(30)17-21-12-10-20(11-13-21)7-6-15-26-33(2,31)32/h3-5,8-13,23-24,26,29H,6-7,14-19H2,1-2H3/t23-,24+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166623
PNG
(CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166633
PNG
(2-[2-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-22-13-7-6-12-21(22)16-24(29)26(2)23(18-27-14-8-9-15-27)20-10-4-3-5-11-20/h3-7,10-13,23H,8-9,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166631
PNG
(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166624
PNG
(CHEMBL447185 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-19(2)33(31,32)26-16-21-11-9-20(10-12-21)15-25(30)27(3)24(22-7-5-4-6-8-22)18-28-14-13-23(29)17-28/h4-12,19,23-24,26,29H,13-18H2,1-3H3/t23-,24+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166636
PNG
(CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166628
PNG
(CHEMBL189430 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1
Show InChI InChI=1S/C24H33N3O4S/c1-26(23(21-6-4-3-5-7-21)18-27-15-13-22(28)17-27)24(29)16-20-10-8-19(9-11-20)12-14-25-32(2,30)31/h3-11,22-23,25,28H,12-18H2,1-2H3/t22-,23+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166620
PNG
(2-[4-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-6-7-15-26)21-8-4-3-5-9-21)23(27)16-19-10-12-20(13-11-19)17-24-30(2,28)29/h3-5,8-13,22,24H,6-7,14-18H2,1-2H3/t22-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50039966
PNG
(1-[(S)-2-(Methyl-phenylacetyl-amino)-2-phenyl-ethy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-22(21(24)16-18-10-4-2-5-11-18)20(17-23-14-8-9-15-23)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3/t20-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166617
PNG
(2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166630
PNG
(2-[4-(Benzenesulfonylamino-methyl)-phenyl]-N-[(S)-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33N3O4S/c1-30(27(24-8-4-2-5-9-24)21-31-17-16-25(32)20-31)28(33)18-22-12-14-23(15-13-22)19-29-36(34,35)26-10-6-3-7-11-26/h2-15,25,27,29,32H,16-21H2,1H3/t25-,27+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166632
PNG
(CHEMBL192520 | N-Methyl-2-{4-[(3-methyl-ureido)-me...)
Show SMILES CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C24H32N4O2/c1-25-24(30)26-17-20-12-10-19(11-13-20)16-23(29)27(2)22(18-28-14-6-7-15-28)21-8-4-3-5-9-21/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H2,25,26,30)/t22-/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166634
PNG
(2-(3-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CN)c1
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-18-8-7-9-19(14-18)16-23)21(17-25-12-5-6-13-25)20-10-3-2-4-11-20/h2-4,7-11,14,21H,5-6,12-13,15-17,23H2,1H3/t21-/m1/s1
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8.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166622
PNG
(2-[3-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-13-6-7-14-26)21-11-4-3-5-12-21)23(27)16-19-9-8-10-20(15-19)17-24-30(2,28)29/h3-5,8-12,15,22,24H,6-7,13-14,16-18H2,1-2H3/t22-/m1/s1
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10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166627
PNG
(2-(2-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CN
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-19-11-5-6-12-20(19)16-23)21(17-25-13-7-8-14-25)18-9-3-2-4-10-18/h2-6,9-12,21H,7-8,13-17,23H2,1H3/t21-/m1/s1
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10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166616
PNG
(2-[2-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNS(C)(=O)=O
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-8-9-15-26)19-10-4-3-5-11-19)23(27)16-20-12-6-7-13-21(20)17-24-30(2,28)29/h3-7,10-13,22,24H,8-9,14-18H2,1-2H3/t22-/m1/s1
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12n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166625
PNG
(2-[3-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-21-10-8-9-20(15-21)16-24(29)26(2)23(18-27-13-6-7-14-27)22-11-4-3-5-12-22/h3-5,8-12,15,23H,6-7,13-14,16-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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23n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50007344
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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24n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166623
PNG
(CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1
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27n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166629
PNG
(2-[4-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNC(C)=O)cc1
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-21-12-10-20(11-13-21)16-24(29)26(2)23(18-27-14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,23H,6-7,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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47n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50007344
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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53n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166636
PNG
(CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1
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55n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166635
PNG
(2-(4-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CN)cc1
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-18-9-11-19(16-23)12-10-18)21(17-25-13-5-6-14-25)20-7-3-2-4-8-20/h2-4,7-12,21H,5-6,13-17,23H2,1H3/t21-/m1/s1
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57n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166617
PNG
(2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/m0/s1
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63n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166631
PNG
(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1
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74n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166630
PNG
(2-[4-(Benzenesulfonylamino-methyl)-phenyl]-N-[(S)-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33N3O4S/c1-30(27(24-8-4-2-5-9-24)21-31-17-16-25(32)20-31)28(33)18-22-12-14-23(15-13-22)19-29-36(34,35)26-10-6-3-7-11-26/h2-15,25,27,29,32H,16-21H2,1H3/t25-,27+/m0/s1
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83n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166621
PNG
(CHEMBL191987 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C22H29N3O4S/c1-24(22(27)14-17-8-10-19(11-9-17)23-30(2,28)29)21(18-6-4-3-5-7-18)16-25-13-12-20(26)15-25/h3-11,20-21,23,26H,12-16H2,1-2H3/t20-,21+/m0/s1
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105n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166628
PNG
(CHEMBL189430 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1
Show InChI InChI=1S/C24H33N3O4S/c1-26(23(21-6-4-3-5-7-21)18-27-15-13-22(28)17-27)24(29)16-20-10-8-19(9-11-20)12-14-25-32(2,30)31/h3-11,22-23,25,28H,12-18H2,1-2H3/t22-,23+/m0/s1
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107n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166626
PNG
(CHEMBL363822 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-3-15-33(31,32)26-17-21-11-9-20(10-12-21)16-25(30)27(2)24(22-7-5-4-6-8-22)19-28-14-13-23(29)18-28/h4-12,23-24,26,29H,3,13-19H2,1-2H3/t23-,24+/m0/s1
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124n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166619
PNG
(CHEMBL425897 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H31N3O4S/c1-25(22(20-6-4-3-5-7-20)17-26-13-12-21(27)16-26)23(28)14-18-8-10-19(11-9-18)15-24-31(2,29)30/h3-11,21-22,24,27H,12-17H2,1-2H3/t21-,22+/m0/s1
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151n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166613
PNG
(2-{4-[(Butane-1-sulfonylamino)-methyl]-phenyl}-N-[...)
Show SMILES CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C26H37N3O4S/c1-3-4-16-34(32,33)27-18-22-12-10-21(11-13-22)17-26(31)28(2)25(23-8-6-5-7-9-23)20-29-15-14-24(30)19-29/h5-13,24-25,27,30H,3-4,14-20H2,1-2H3/t24-,25+/m0/s1
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167n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166619
PNG
(CHEMBL425897 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H31N3O4S/c1-25(22(20-6-4-3-5-7-20)17-26-13-12-21(27)16-26)23(28)14-18-8-10-19(11-9-18)15-24-31(2,29)30/h3-11,21-22,24,27H,12-17H2,1-2H3/t21-,22+/m0/s1
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167n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166614
PNG
(CHEMBL189643 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-31(28(26-10-6-3-7-11-26)21-32-17-16-27(33)20-32)29(34)18-23-12-14-24(15-13-23)19-30-37(35,36)22-25-8-4-2-5-9-25/h2-15,27-28,30,33H,16-22H2,1H3/t27-,28+/m0/s1
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173n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166621
PNG
(CHEMBL191987 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C22H29N3O4S/c1-24(22(27)14-17-8-10-19(11-9-17)23-30(2,28)29)21(18-6-4-3-5-7-18)16-25-13-12-20(26)15-25/h3-11,20-21,23,26H,12-16H2,1-2H3/t20-,21+/m0/s1
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177n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166618
PNG
(CHEMBL192718 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-27(24(22-8-4-3-5-9-22)19-28-16-14-23(29)18-28)25(30)17-21-12-10-20(11-13-21)7-6-15-26-33(2,31)32/h3-5,8-13,23-24,26,29H,6-7,14-19H2,1-2H3/t23-,24+/m0/s1
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238n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166618
PNG
(CHEMBL192718 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-27(24(22-8-4-3-5-9-22)19-28-16-14-23(29)18-28)25(30)17-21-12-10-20(11-13-21)7-6-15-26-33(2,31)32/h3-5,8-13,23-24,26,29H,6-7,14-19H2,1-2H3/t23-,24+/m0/s1
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319n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166620
PNG
(2-[4-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-6-7-15-26)21-8-4-3-5-9-21)23(27)16-19-10-12-20(13-11-19)17-24-30(2,28)29/h3-5,8-13,22,24H,6-7,14-18H2,1-2H3/t22-/m1/s1
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440n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166624
PNG
(CHEMBL447185 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-19(2)33(31,32)26-16-21-11-9-20(10-12-21)15-25(30)27(3)24(22-7-5-4-6-8-22)18-28-14-13-23(29)17-28/h4-12,19,23-24,26,29H,13-18H2,1-3H3/t23-,24+/m0/s1
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470n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166614
PNG
(CHEMBL189643 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-31(28(26-10-6-3-7-11-26)21-32-17-16-27(33)20-32)29(34)18-23-12-14-24(15-13-23)19-30-37(35,36)22-25-8-4-2-5-9-25/h2-15,27-28,30,33H,16-22H2,1H3/t27-,28+/m0/s1
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478n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166615
PNG
(2-[4-(Ethanesulfonylamino-methyl)-phenyl]-N-[(S)-2...)
Show SMILES CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(30,31)25-16-20-11-9-19(10-12-20)15-24(29)26(2)23(21-7-5-4-6-8-21)18-27-14-13-22(28)17-27/h4-12,22-23,25,28H,3,13-18H2,1-2H3/t22-,23+/m0/s1
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513n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166616
PNG
(2-[2-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNS(C)(=O)=O
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-8-9-15-26)19-10-4-3-5-11-19)23(27)16-20-12-6-7-13-21(20)17-24-30(2,28)29/h3-7,10-13,22,24H,8-9,14-18H2,1-2H3/t22-/m1/s1
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570n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166623
PNG
(CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1
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703n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166628
PNG
(CHEMBL189430 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1
Show InChI InChI=1S/C24H33N3O4S/c1-26(23(21-6-4-3-5-7-21)18-27-15-13-22(28)17-27)24(29)16-20-10-8-19(9-11-20)12-14-25-32(2,30)31/h3-11,22-23,25,28H,12-18H2,1-2H3/t22-,23+/m0/s1
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785n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166630
PNG
(2-[4-(Benzenesulfonylamino-methyl)-phenyl]-N-[(S)-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33N3O4S/c1-30(27(24-8-4-2-5-9-24)21-31-17-16-25(32)20-31)28(33)18-22-12-14-23(15-13-22)19-29-36(34,35)26-10-6-3-7-11-26/h2-15,25,27,29,32H,16-21H2,1H3/t25-,27+/m0/s1
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878n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166616
PNG
(2-[2-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNS(C)(=O)=O
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-8-9-15-26)19-10-4-3-5-11-19)23(27)16-20-12-6-7-13-21(20)17-24-30(2,28)29/h3-7,10-13,22,24H,8-9,14-18H2,1-2H3/t22-/m1/s1
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898n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166633
PNG
(2-[2-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-22-13-7-6-12-21(22)16-24(29)26(2)23(18-27-14-8-9-15-27)20-10-4-3-5-11-20/h3-7,10-13,23H,8-9,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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900n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166615
PNG
(2-[4-(Ethanesulfonylamino-methyl)-phenyl]-N-[(S)-2...)
Show SMILES CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(30,31)25-16-20-11-9-19(10-12-20)15-24(29)26(2)23(21-7-5-4-6-8-21)18-27-14-13-22(28)17-27/h4-12,22-23,25,28H,3,13-18H2,1-2H3/t22-,23+/m0/s1
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1.03E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166626
PNG
(CHEMBL363822 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-3-15-33(31,32)26-17-21-11-9-20(10-12-21)16-25(30)27(2)24(22-7-5-4-6-8-22)19-28-14-13-23(29)18-28/h4-12,23-24,26,29H,3,13-19H2,1-2H3/t23-,24+/m0/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166613
PNG
(2-{4-[(Butane-1-sulfonylamino)-methyl]-phenyl}-N-[...)
Show SMILES CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C26H37N3O4S/c1-3-4-16-34(32,33)27-18-22-12-10-21(11-13-22)17-26(31)28(2)25(23-8-6-5-7-9-23)20-29-15-14-24(30)19-29/h5-13,24-25,27,30H,3-4,14-20H2,1-2H3/t24-,25+/m0/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166636
PNG
(CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1
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1.06E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166617
PNG
(2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/m0/s1
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1.08E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166624
PNG
(CHEMBL447185 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-19(2)33(31,32)26-16-21-11-9-20(10-12-21)15-25(30)27(3)24(22-7-5-4-6-8-22)18-28-14-13-23(29)17-28/h4-12,19,23-24,26,29H,13-18H2,1-3H3/t23-,24+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166620
PNG
(2-[4-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-6-7-15-26)21-8-4-3-5-9-21)23(27)16-19-10-12-20(13-11-19)17-24-30(2,28)29/h3-5,8-13,22,24H,6-7,14-18H2,1-2H3/t22-/m1/s1
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1.13E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166633
PNG
(2-[2-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-22-13-7-6-12-21(22)16-24(29)26(2)23(18-27-14-8-9-15-27)20-10-4-3-5-11-20/h3-7,10-13,23H,8-9,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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1.24E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166632
PNG
(CHEMBL192520 | N-Methyl-2-{4-[(3-methyl-ureido)-me...)
Show SMILES CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C24H32N4O2/c1-25-24(30)26-17-20-12-10-19(11-13-20)16-23(29)27(2)22(18-28-14-6-7-15-28)21-8-4-3-5-9-21/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H2,25,26,30)/t22-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166631
PNG
(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50166622
PNG
(2-[3-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-13-6-7-14-26)21-11-4-3-5-12-21)23(27)16-19-9-8-10-20(15-19)17-24-30(2,28)29/h3-5,8-12,15,22,24H,6-7,13-14,16-18H2,1-2H3/t22-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166622
PNG
(2-[3-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-13-6-7-14-26)21-11-4-3-5-12-21)23(27)16-19-9-8-10-20(15-19)17-24-30(2,28)29/h3-5,8-12,15,22,24H,6-7,13-14,16-18H2,1-2H3/t22-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50166634
PNG
(2-(3-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CN)c1
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-18-8-7-9-19(14-18)16-23)21(17-25-12-5-6-13-25)20-10-3-2-4-11-20/h2-4,7-11,14,21H,5-6,12-13,15-17,23H2,1H3/t21-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166627
PNG
(2-(2-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CN
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-19-11-5-6-12-20(19)16-23)21(17-25-13-7-8-14-25)18-9-3-2-4-10-18/h2-6,9-12,21H,7-8,13-17,23H2,1H3/t21-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50007344
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166633
PNG
(2-[2-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-22-13-7-6-12-21(22)16-24(29)26(2)23(18-27-14-8-9-15-27)20-10-4-3-5-11-20/h3-7,10-13,23H,8-9,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50039966
PNG
(1-[(S)-2-(Methyl-phenylacetyl-amino)-2-phenyl-ethy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-22(21(24)16-18-10-4-2-5-11-18)20(17-23-14-8-9-15-23)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3/t20-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166634
PNG
(2-(3-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CN)c1
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-18-8-7-9-19(14-18)16-23)21(17-25-12-5-6-13-25)20-10-3-2-4-11-20/h2-4,7-11,14,21H,5-6,12-13,15-17,23H2,1H3/t21-/m1/s1
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n/an/a 107n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166616
PNG
(2-[2-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNS(C)(=O)=O
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-8-9-15-26)19-10-4-3-5-11-19)23(27)16-20-12-6-7-13-21(20)17-24-30(2,28)29/h3-7,10-13,22,24H,8-9,14-18H2,1-2H3/t22-/m1/s1
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n/an/a 295n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166635
PNG
(2-(4-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CN)cc1
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-18-9-11-19(16-23)12-10-18)21(17-25-13-5-6-14-25)20-7-3-2-4-8-20/h2-4,7-12,21H,5-6,13-17,23H2,1H3/t21-/m1/s1
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n/an/a 326n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166625
PNG
(2-[3-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-21-10-8-9-20(15-21)16-24(29)26(2)23(18-27-13-6-7-14-27)22-11-4-3-5-12-22/h3-5,8-12,15,23H,6-7,13-14,16-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166631
PNG
(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166629
PNG
(2-[4-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNC(C)=O)cc1
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-21-12-10-20(11-13-21)16-24(29)26(2)23(18-27-14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,23H,6-7,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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n/an/a 1.11E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166632
PNG
(CHEMBL192520 | N-Methyl-2-{4-[(3-methyl-ureido)-me...)
Show SMILES CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C24H32N4O2/c1-25-24(30)26-17-20-12-10-19(11-13-20)16-23(29)27(2)22(18-28-14-6-7-15-28)21-8-4-3-5-9-21/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H2,25,26,30)/t22-/m1/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166622
PNG
(2-[3-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-13-6-7-14-26)21-11-4-3-5-12-21)23(27)16-19-9-8-10-20(15-19)17-24-30(2,28)29/h3-5,8-12,15,22,24H,6-7,13-14,16-18H2,1-2H3/t22-/m1/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166630
PNG
(2-[4-(Benzenesulfonylamino-methyl)-phenyl]-N-[(S)-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33N3O4S/c1-30(27(24-8-4-2-5-9-24)21-31-17-16-25(32)20-31)28(33)18-22-12-14-23(15-13-22)19-29-36(34,35)26-10-6-3-7-11-26/h2-15,25,27,29,32H,16-21H2,1H3/t25-,27+/m0/s1
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n/an/a 4.34E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166636
PNG
(CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1
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n/an/a 4.78E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166621
PNG
(CHEMBL191987 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C22H29N3O4S/c1-24(22(27)14-17-8-10-19(11-9-17)23-30(2,28)29)21(18-6-4-3-5-7-18)16-25-13-12-20(26)15-25/h3-11,20-21,23,26H,12-16H2,1-2H3/t20-,21+/m0/s1
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n/an/a 5.53E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166623
PNG
(CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1
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n/an/a 5.65E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166614
PNG
(CHEMBL189643 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-31(28(26-10-6-3-7-11-26)21-32-17-16-27(33)20-32)29(34)18-23-12-14-24(15-13-23)19-30-37(35,36)22-25-8-4-2-5-9-25/h2-15,27-28,30,33H,16-22H2,1H3/t27-,28+/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166617
PNG
(2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/m0/s1
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n/an/a 5.79E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166613
PNG
(2-{4-[(Butane-1-sulfonylamino)-methyl]-phenyl}-N-[...)
Show SMILES CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C26H37N3O4S/c1-3-4-16-34(32,33)27-18-22-12-10-21(11-13-22)17-26(31)28(2)25(23-8-6-5-7-9-23)20-29-15-14-24(30)19-29/h5-13,24-25,27,30H,3-4,14-20H2,1-2H3/t24-,25+/m0/s1
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n/an/a 7.89E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166619
PNG
(CHEMBL425897 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H31N3O4S/c1-25(22(20-6-4-3-5-7-20)17-26-13-12-21(27)16-26)23(28)14-18-8-10-19(11-9-18)15-24-31(2,29)30/h3-11,21-22,24,27H,12-17H2,1-2H3/t21-,22+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166629
PNG
(2-[4-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNC(C)=O)cc1
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-21-12-10-20(11-13-21)16-24(29)26(2)23(18-27-14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,23H,6-7,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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n/an/an/an/a 55n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166630
PNG
(2-[4-(Benzenesulfonylamino-methyl)-phenyl]-N-[(S)-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33N3O4S/c1-30(27(24-8-4-2-5-9-24)21-31-17-16-25(32)20-31)28(33)18-22-12-14-23(15-13-22)19-29-36(34,35)26-10-6-3-7-11-26/h2-15,25,27,29,32H,16-21H2,1H3/t25-,27+/m0/s1
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n/an/an/an/a 9.5n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166625
PNG
(2-[3-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-21-10-8-9-20(15-21)16-24(29)26(2)23(18-27-13-6-7-14-27)22-11-4-3-5-12-22/h3-5,8-12,15,23H,6-7,13-14,16-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166634
PNG
(2-(3-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CN)c1
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-18-8-7-9-19(14-18)16-23)21(17-25-12-5-6-13-25)20-10-3-2-4-11-20/h2-4,7-11,14,21H,5-6,12-13,15-17,23H2,1H3/t21-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166633
PNG
(2-[2-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O
Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-22-13-7-6-12-21(22)16-24(29)26(2)23(18-27-14-8-9-15-27)20-10-4-3-5-11-20/h3-7,10-13,23H,8-9,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166626
PNG
(CHEMBL363822 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-3-15-33(31,32)26-17-21-11-9-20(10-12-21)16-25(30)27(2)24(22-7-5-4-6-8-22)19-28-14-13-23(29)18-28/h4-12,23-24,26,29H,3,13-19H2,1-2H3/t23-,24+/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166615
PNG
(2-[4-(Ethanesulfonylamino-methyl)-phenyl]-N-[(S)-2...)
Show SMILES CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(30,31)25-16-20-11-9-19(10-12-20)15-24(29)26(2)23(21-7-5-4-6-8-21)18-27-14-13-22(28)17-27/h4-12,22-23,25,28H,3,13-18H2,1-2H3/t22-,23+/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166632
PNG
(CHEMBL192520 | N-Methyl-2-{4-[(3-methyl-ureido)-me...)
Show SMILES CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C24H32N4O2/c1-25-24(30)26-17-20-12-10-19(11-13-20)16-23(29)27(2)22(18-28-14-6-7-15-28)21-8-4-3-5-9-21/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H2,25,26,30)/t22-/m1/s1
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n/an/an/an/a 390n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166628
PNG
(CHEMBL189430 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1
Show InChI InChI=1S/C24H33N3O4S/c1-26(23(21-6-4-3-5-7-21)18-27-15-13-22(28)17-27)24(29)16-20-10-8-19(9-11-20)12-14-25-32(2,30)31/h3-11,22-23,25,28H,12-18H2,1-2H3/t22-,23+/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166614
PNG
(CHEMBL189643 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-31(28(26-10-6-3-7-11-26)21-32-17-16-27(33)20-32)29(34)18-23-12-14-24(15-13-23)19-30-37(35,36)22-25-8-4-2-5-9-25/h2-15,27-28,30,33H,16-22H2,1H3/t27-,28+/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166635
PNG
(2-(4-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CN)cc1
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-18-9-11-19(16-23)12-10-18)21(17-25-13-5-6-14-25)20-7-3-2-4-8-20/h2-4,7-12,21H,5-6,13-17,23H2,1H3/t21-/m1/s1
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n/an/an/an/a 81n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166618
PNG
(CHEMBL192718 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-27(24(22-8-4-3-5-9-22)19-28-16-14-23(29)18-28)25(30)17-21-12-10-20(11-13-21)7-6-15-26-33(2,31)32/h3-5,8-13,23-24,26,29H,6-7,14-19H2,1-2H3/t23-,24+/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166620
PNG
(2-[4-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-6-7-15-26)21-8-4-3-5-9-21)23(27)16-19-10-12-20(13-11-19)17-24-30(2,28)29/h3-5,8-13,22,24H,6-7,14-18H2,1-2H3/t22-/m1/s1
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n/an/an/an/a 5.70n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166623
PNG
(CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166622
PNG
(2-[3-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-13-6-7-14-26)21-11-4-3-5-12-21)23(27)16-19-9-8-10-20(15-19)17-24-30(2,28)29/h3-5,8-12,15,22,24H,6-7,13-14,16-18H2,1-2H3/t22-/m1/s1
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n/an/an/an/a 32n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50007344
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166613
PNG
(2-{4-[(Butane-1-sulfonylamino)-methyl]-phenyl}-N-[...)
Show SMILES CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C26H37N3O4S/c1-3-4-16-34(32,33)27-18-22-12-10-21(11-13-22)17-26(31)28(2)25(23-8-6-5-7-9-23)20-29-15-14-24(30)19-29/h5-13,24-25,27,30H,3-4,14-20H2,1-2H3/t24-,25+/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166636
PNG
(CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1
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n/an/an/an/a 4.80n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166624
PNG
(CHEMBL447185 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C25H35N3O4S/c1-19(2)33(31,32)26-16-21-11-9-20(10-12-21)15-25(30)27(3)24(22-7-5-4-6-8-22)18-28-14-13-23(29)17-28/h4-12,19,23-24,26,29H,13-18H2,1-3H3/t23-,24+/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166621
PNG
(CHEMBL191987 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C22H29N3O4S/c1-24(22(27)14-17-8-10-19(11-9-17)23-30(2,28)29)21(18-6-4-3-5-7-18)16-25-13-12-20(26)15-25/h3-11,20-21,23,26H,12-16H2,1-2H3/t20-,21+/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166616
PNG
(2-[2-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNS(C)(=O)=O
Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-8-9-15-26)19-10-4-3-5-11-19)23(27)16-20-12-6-7-13-21(20)17-24-30(2,28)29/h3-7,10-13,22,24H,8-9,14-18H2,1-2H3/t22-/m1/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166631
PNG
(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166617
PNG
(2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50039966
PNG
(1-[(S)-2-(Methyl-phenylacetyl-amino)-2-phenyl-ethy...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-22(21(24)16-18-10-4-2-5-11-18)20(17-23-14-8-9-15-23)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3/t20-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166627
PNG
(2-(2-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CN
Show InChI InChI=1S/C22H29N3O/c1-24(22(26)15-19-11-5-6-12-20(19)16-23)21(17-25-13-7-8-14-25)18-9-3-2-4-10-18/h2-6,9-12,21H,7-8,13-17,23H2,1H3/t21-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%