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Compile Data Set for Download or QSAR

Found 537 hits with Last Name = 'ajello' and Initial = 'cw'   
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50039026
PNG
(4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50252953
PNG
(CHEMBL494479 | N,N-Diethyl-4-(6-hydroxyspiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccc(O)cc12
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-7-5-17(6-8-18)21-16-24(11-13-25-14-12-24)29-22-10-9-19(27)15-20(21)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297321
PNG
(CHEMBL551613 | Isoindolin-2-yl(4-(spiro[chromene-2...)
Show SMILES O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C28H26N2O2/c31-27(30-18-22-5-1-2-6-23(22)19-30)21-11-9-20(10-12-21)25-17-28(13-15-29-16-14-28)32-26-8-4-3-7-24(25)26/h1-12,17,29H,13-16,18-19H2
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0.530n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297339
PNG
(CHEMBL557458 | N,N-Diethyl-2-hydroxy-4-(spiro[chro...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1O)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)19-10-9-17(15-21(19)27)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50252954
PNG
(ADL-5859 | CHEMBL494480 | N,N-diethyl-4-(5-hydroxy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3
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0.840n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297329
PNG
((R)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50304919
PNG
(CHEMBL595268 | N-(3,4-dimethyl-5-(morpholinosulfon...)
Show SMILES CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H32N2O4S/c1-6-7-8-20(4,5)19(23)21-17-13-15(2)16(3)18(14-17)27(24,25)22-9-11-26-12-10-22/h13-14H,6-12H2,1-5H3,(H,21,23)
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1.10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297338
PNG
(CHEMBL562873 | N,N-Diethyl-2-fluoro-4-(spiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1F)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H27FN2O2/c1-3-27(4-2)23(28)19-10-9-17(15-21(19)25)20-16-24(11-13-26-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,26H,3-4,11-14H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297316
PNG
(CHEMBL561882 | N,N-Diisopropyl-4-(spiro[chromene-2...)
Show SMILES CC(C)N(C(C)C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C26H32N2O2/c1-18(2)28(19(3)4)25(29)21-11-9-20(10-12-21)23-17-26(13-15-27-16-14-26)30-24-8-6-5-7-22(23)24/h5-12,17-19,27H,13-16H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50252952
PNG
(CHEMBL495094 | N,N-Diethyl-4-(7-hydroxyspiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cc(O)ccc12
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-7-5-17(6-8-18)21-16-24(11-13-25-14-12-24)29-22-15-19(27)9-10-20(21)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297331
PNG
(CHEMBL550472 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(s1)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-10-9-19(27-20)17-15-22(11-13-23-14-12-22)26-18-8-6-5-7-16(17)18/h5-10,15,23H,3-4,11-14H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297328
PNG
((+/-)-N,N-Diethyl-4-(spiro[chroman-2,4'-piperidine...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50277152
PNG
((1S,2S,4R)-1,3,3-trimethyl-N-(4-methyl-3-(morpholi...)
Show SMILES Cc1ccc(NC(=O)[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-17(13-18(15)29(26,27)24-9-11-28-12-10-24)23-20(25)19-21(2,3)16-7-8-22(19,4)14-16/h5-6,13,16,19H,7-12,14H2,1-4H3,(H,23,25)/t16-,19-,22+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
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))
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50252876
PNG
(CHEMBL494462 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,17,25H,3-4,13-16H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50252876
PNG
(CHEMBL494462 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,17,25H,3-4,13-16H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297324
PNG
(CHEMBL563893 | N,N-Diethyl-4-(spiro[azepane-4,2'-c...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNCC2)Oc2ccccc12
Show InChI InChI=1S/C25H30N2O2/c1-3-27(4-2)24(28)20-12-10-19(11-13-20)22-18-25(14-7-16-26-17-15-25)29-23-9-6-5-8-21(22)23/h5-6,8-13,18,26H,3-4,7,14-17H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
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))
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297340
PNG
(CHEMBL562478 | N,N-Diethyl-3-methyl-4-(spiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1
Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)19-10-11-20(18(3)16-19)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3
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2.40n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297334
PNG
(CHEMBL557054 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cn1)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C23H27N3O2/c1-3-26(4-2)22(27)20-10-9-17(16-25-20)19-15-23(11-13-24-14-12-23)28-21-8-6-5-7-18(19)21/h5-10,15-16,24H,3-4,11-14H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297342
PNG
(CHEMBL561339 | N,N-Diethyl-3-hydroxy-4-(spiro[chro...)
Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(O)c1
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)17-9-10-18(21(27)15-17)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50304926
PNG
(CHEMBL602105 | N-(3,4-dimethyl-5-(piperidin-1-ylsu...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-12-14(2)15(3)17(13-16)25(23,24)21-10-8-7-9-11-21/h12-13H,6-11H2,1-5H3,(H,20,22)
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2.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297337
PNG
(CHEMBL557257 | N,N-Diethyl-2-methyl-4-(spiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1C)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-11-10-19(16-18(20)3)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3
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3.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50252925
PNG
(CHEMBL494275 | N,N-Diethyl-4-(1'-methylspiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCN(C)CC2)Oc2ccccc12
Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-12-10-19(11-13-20)22-18-25(14-16-26(3)17-15-25)29-23-9-7-6-8-21(22)23/h6-13,18H,4-5,14-17H2,1-3H3
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3.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268463
PNG
(CHEMBL502411 | c[L-Phe-D-pro-L-Phe-D-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28+,29-,30+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50277193
PNG
(4-methyl-3-(morpholinosulfonyl)-N-((1S,2S,4R)-1,3,...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@H]1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)19(25)23-20-21(2,3)17-7-8-22(20,4)14-17/h5-6,13,17,20H,7-12,14H2,1-4H3,(H,23,25)/t17-,20-,22+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297336
PNG
(CHEMBL562280 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ncc(cn1)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C22H26N4O2/c1-3-26(4-2)21(27)20-24-14-16(15-25-20)18-13-22(9-11-23-12-10-22)28-19-8-6-5-7-17(18)19/h5-8,13-15,23H,3-4,9-12H2,1-2H3
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4.60n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50277194
PNG
(4-(2-methyl-5-(4-neopentylthiazol-2-yl)phenylsulfo...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nc(CC(C)(C)C)cs1
Show InChI InChI=1S/C19H26N2O3S2/c1-14-5-6-15(18-20-16(13-25-18)12-19(2,3)4)11-17(14)26(22,23)21-7-9-24-10-8-21/h5-6,11,13H,7-10,12H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268531
PNG
(CHEMBL499595 | c[L-Ala-D-pro-L-Phe-D-trp])
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-28(37)33-13-7-12-24(33)27(36)32-22(14-18-8-3-2-4-9-18)26(35)31-23(25(34)30-17)15-19-16-29-21-11-6-5-10-20(19)21/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,34)(H,31,35)(H,32,36)/t17-,22-,23+,24+/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50297312
PNG
(CHEMBL551412 | N-Ethyl-4-(spiro[chromene-2,4'-pipe...)
Show SMILES CCNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C22H24N2O2/c1-2-24-21(25)17-9-7-16(8-10-17)19-15-22(11-13-23-14-12-22)26-20-6-4-3-5-18(19)20/h3-10,15,23H,2,11-14H2,1H3,(H,24,25)
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5.60n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50277195
PNG
(4-(5-(4-tert-butylthiazol-2-yl)-2-methylphenylsulf...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C18H24N2O3S2/c1-13-5-6-14(17-19-16(12-24-17)18(2,3)4)11-15(13)25(21,22)20-7-9-23-10-8-20/h5-6,11-12H,7-10H2,1-4H3
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5.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
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
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50304916
PNG
(CHEMBL593625 | N-(3,4-dimethyl-5-(morpholinosulfon...)
Show SMILES Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(c1C)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C17H20F6N2O4S/c1-10-8-12(24-14(26)15(3,16(18,19)20)17(21,22)23)9-13(11(10)2)30(27,28)25-4-6-29-7-5-25/h8-9H,4-7H2,1-3H3,(H,24,26)
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6.60n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair
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