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PubMed code 19694468

Compile data set for download or QSAR
Found 136 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
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 |t:20|
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
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 |t:15|
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
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 |r|
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
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 |t:16|
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
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 |t:15|
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
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 |t:13|
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
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
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 |t:14|
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
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 |t:14|
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
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 |t:11|
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
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 |t:14|
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
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 |t:11|
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
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 |t:15|
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
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 |t:14|
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
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 |t:12|
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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297333
PNG
(CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-13-16(15-27-20)18-14-22(9-11-23-12-10-22)26-19-8-6-5-7-17(18)19/h5-8,13-15,23H,3-4,9-12H2,1-2H3
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6.90n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297323
PNG
(2-Ethyl-6-(spiro[chromene-2,4'-piperidine]-4-yl)-3...)
Show SMILES CCN1CCc2cc(ccc2C1=O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H26N2O2/c1-2-26-14-9-18-15-17(7-8-19(18)23(26)27)21-16-24(10-12-25-13-11-24)28-22-6-4-3-5-20(21)22/h3-8,15-16,25H,2,9-14H2,1H3
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8.10n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297317
PNG
(CHEMBL561805 | N,N-Dimethyl-4-(spiro[chromene-2,4'...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
Show InChI InChI=1S/C22H24N2O2/c1-24(2)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,11-14H2,1-2H3
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10n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297335
PNG
(CHEMBL561138 | N,N-Diethyl-6-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(nc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C23H27N3O2/c1-3-26(4-2)22(27)17-9-10-20(25-16-17)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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11n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297341
PNG
(CHEMBL559414 | N,N-Diethyl-3-fluoro-4-(spiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(F)c1 |t:11|
Show InChI InChI=1S/C24H27FN2O2/c1-3-27(4-2)23(28)17-9-10-18(21(25)15-17)20-16-24(11-13-26-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,26H,3-4,11-14H2,1-2H3
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13n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297315
PNG
(CHEMBL563137 | N-Isobutyl-4-(spiro[chromene-2,4'-p...)
Show SMILES CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-17(2)16-26-23(27)19-9-7-18(8-10-19)21-15-24(11-13-25-14-12-24)28-22-6-4-3-5-20(21)22/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,27)
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13n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297319
PNG
(CHEMBL550261 | Piperidin-1-yl(4-(spiro[chromene-2,...)
Show SMILES O=C(N1CCCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C25H28N2O2/c28-24(27-16-4-1-5-17-27)20-10-8-19(9-11-20)22-18-25(12-14-26-15-13-25)29-23-7-3-2-6-21(22)23/h2-3,6-11,18,26H,1,4-5,12-17H2
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15n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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17n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297314
PNG
(CHEMBL551413 | N-Methyl-4-(spiro[chromene-2,4'-pip...)
Show SMILES CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
Show InChI InChI=1S/C21H22N2O2/c1-22-20(24)16-8-6-15(7-9-16)18-14-21(10-12-23-13-11-21)25-19-5-3-2-4-17(18)19/h2-9,14,23H,10-13H2,1H3,(H,22,24)
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18n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297325
PNG
(CHEMBL556439 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C23H26N2O2/c1-3-25(4-2)22(26)18-11-9-17(10-12-18)20-15-23(13-14-24-16-23)27-21-8-6-5-7-19(20)21/h5-12,15,24H,3-4,13-14,16H2,1-2H3
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18n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297322
PNG
(CHEMBL551536 | N-Benzyl-N-methyl-4-(spiro[chromene...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:19|
Show InChI InChI=1S/C28H28N2O2/c1-30(20-21-7-3-2-4-8-21)27(31)23-13-11-22(12-14-23)25-19-28(15-17-29-18-16-28)32-26-10-6-5-9-24(25)26/h2-14,19,29H,15-18,20H2,1H3
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18n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297332
PNG
(CHEMBL550669 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(o1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O3/c1-3-24(4-2)21(25)20-10-9-18(26-20)17-15-22(11-13-23-14-12-22)27-19-8-6-5-7-16(17)19/h5-10,15,23H,3-4,11-14H2,1-2H3
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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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297318
PNG
(CHEMBL564922 | Pyrrolidin-1-yl(4-(spiro[chromene-2...)
Show SMILES O=C(N1CCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H26N2O2/c27-23(26-15-3-4-16-26)19-9-7-18(8-10-19)21-17-24(11-13-25-14-12-24)28-22-6-2-1-5-20(21)22/h1-2,5-10,17,25H,3-4,11-16H2
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27n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297330
PNG
((S)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12 |r|
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-/m0/s1
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29n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297320
PNG
(CHEMBL551414 | Morpholino(4-(spiro[chromene-2,4'-p...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C24H26N2O3/c27-23(26-13-15-28-16-14-26)19-7-5-18(6-8-19)21-17-24(9-11-25-12-10-24)29-22-4-2-1-3-20(21)22/h1-8,17,25H,9-16H2
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50n/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
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297326
PNG
(CHEMBL563700 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-12-10-18(11-13-19)21-16-24(14-7-15-25-17-24)28-22-9-6-5-8-20(21)22/h5-6,8-13,16,25H,3-4,7,14-15,17H2,1-2H3
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56n/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
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50297333
PNG
(CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-13-16(15-27-20)18-14-22(9-11-23-12-10-22)26-19-8-6-5-7-17(18)19/h5-8,13-15,23H,3-4,9-12H2,1-2H3
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220n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Kappa-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 |t:11|
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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390n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Mu-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 |t:20|
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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450n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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560n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Kappa-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 |t:12|
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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800n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Kappa-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 |t:20|
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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890n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297327
PNG
(CHEMBL556923 | N,N-Diethyl-4-(2',3',5',6'-tetrahyd...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCOCC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H27NO3/c1-3-25(4-2)23(26)19-11-9-18(10-12-19)21-17-24(13-15-27-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,17H,3-4,13-16H2,1-2H3
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1.40E+3n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50297314
PNG
(CHEMBL551413 | N-Methyl-4-(spiro[chromene-2,4'-pip...)
Show SMILES CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
Show InChI InChI=1S/C21H22N2O2/c1-22-20(24)16-8-6-15(7-9-16)18-14-21(10-12-23-13-11-21)25-19-5-3-2-4-17(18)19/h2-9,14,23H,10-13H2,1H3,(H,22,24)
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1.60E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50297322
PNG
(CHEMBL551536 | N-Benzyl-N-methyl-4-(spiro[chromene...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:19|
Show InChI InChI=1S/C28H28N2O2/c1-30(20-21-7-3-2-4-8-21)27(31)23-13-11-22(12-14-23)25-19-28(15-17-29-18-16-28)32-26-10-6-5-9-24(25)26/h2-14,19,29H,15-18,20H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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2.70E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50297332
PNG
(CHEMBL550669 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(o1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O3/c1-3-24(4-2)21(25)20-10-9-18(26-20)17-15-22(11-13-23-14-12-22)27-19-8-6-5-7-16(17)19/h5-10,15,23H,3-4,11-14H2,1-2H3
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3.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Mu-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 |t:11|
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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3.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297312
PNG
(CHEMBL551412 | N-Ethyl-4-(spiro[chromene-2,4'-pipe...)
Show SMILES CCNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
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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n/an/a 89n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297341
PNG
(CHEMBL559414 | N,N-Diethyl-3-fluoro-4-(spiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(F)c1 |t:11|
Show InChI InChI=1S/C24H27FN2O2/c1-3-27(4-2)23(28)17-9-10-18(21(25)15-17)20-16-24(11-13-26-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,26H,3-4,11-14H2,1-2H3
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n/an/a 418n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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n/an/a 440n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297332
PNG
(CHEMBL550669 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(o1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O3/c1-3-24(4-2)21(25)20-10-9-18(26-20)17-15-22(11-13-23-14-12-22)27-19-8-6-5-7-16(17)19/h5-10,15,23H,3-4,11-14H2,1-2H3
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n/an/a 640n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297315
PNG
(CHEMBL563137 | N-Isobutyl-4-(spiro[chromene-2,4'-p...)
Show SMILES CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-17(2)16-26-23(27)19-9-7-18(8-10-19)21-15-24(11-13-25-14-12-24)28-22-6-4-3-5-20(21)22/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,27)
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n/an/a 670n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297322
PNG
(CHEMBL551536 | N-Benzyl-N-methyl-4-(spiro[chromene...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:19|
Show InChI InChI=1S/C28H28N2O2/c1-30(20-21-7-3-2-4-8-21)27(31)23-13-11-22(12-14-23)25-19-28(15-17-29-18-16-28)32-26-10-6-5-9-24(25)26/h2-14,19,29H,15-18,20H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297314
PNG
(CHEMBL551413 | N-Methyl-4-(spiro[chromene-2,4'-pip...)
Show SMILES CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
Show InChI InChI=1S/C21H22N2O2/c1-22-20(24)16-8-6-15(7-9-16)18-14-21(10-12-23-13-11-21)25-19-5-3-2-4-17(18)19/h2-9,14,23H,10-13H2,1H3,(H,22,24)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:13|
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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n/an/a 1.26E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297322
PNG
(CHEMBL551536 | N-Benzyl-N-methyl-4-(spiro[chromene...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:19|
Show InChI InChI=1S/C28H28N2O2/c1-30(20-21-7-3-2-4-8-21)27(31)23-13-11-22(12-14-23)25-19-28(15-17-29-18-16-28)32-26-10-6-5-9-24(25)26/h2-14,19,29H,15-18,20H2,1H3
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n/an/a 1.57E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297321
PNG
(CHEMBL551613 | Isoindolin-2-yl(4-(spiro[chromene-2...)
Show SMILES O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:20|
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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n/an/a 1.80E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:13|
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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n/an/a 2.10E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297326
PNG
(CHEMBL563700 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-12-10-18(11-13-19)21-16-24(14-7-15-25-17-24)28-22-9-6-5-8-20(21)22/h5-6,8-13,16,25H,3-4,7,14-15,17H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297325
PNG
(CHEMBL556439 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C23H26N2O2/c1-3-25(4-2)22(26)18-11-9-17(10-12-18)20-15-23(13-14-24-16-23)27-21-8-6-5-7-19(20)21/h5-12,15,24H,3-4,13-14,16H2,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |r|
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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n/an/a 2.54E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:14|
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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n/an/a 2.60E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297323
PNG
(2-Ethyl-6-(spiro[chromene-2,4'-piperidine]-4-yl)-3...)
Show SMILES CCN1CCc2cc(ccc2C1=O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H26N2O2/c1-2-26-14-9-18-15-17(7-8-19(18)23(26)27)21-16-24(10-12-25-13-11-24)28-22-6-4-3-5-20(21)22/h3-8,15-16,25H,2,9-14H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297317
PNG
(CHEMBL561805 | N,N-Dimethyl-4-(spiro[chromene-2,4'...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
Show InChI InChI=1S/C22H24N2O2/c1-24(2)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,11-14H2,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297319
PNG
(CHEMBL550261 | Piperidin-1-yl(4-(spiro[chromene-2,...)
Show SMILES O=C(N1CCCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C25H28N2O2/c28-24(27-16-4-1-5-17-27)20-10-8-19(9-11-20)22-18-25(12-14-26-15-13-25)29-23-7-3-2-6-21(22)23/h2-3,6-11,18,26H,1,4-5,12-17H2
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n/an/a 3.03E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297330
PNG
((S)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12 |r|
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-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297315
PNG
(CHEMBL563137 | N-Isobutyl-4-(spiro[chromene-2,4'-p...)
Show SMILES CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-17(2)16-26-23(27)19-9-7-18(8-10-19)21-15-24(11-13-25-14-12-24)28-22-6-4-3-5-20(21)22/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,27)
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n/an/a 3.19E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297333
PNG
(CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-13-16(15-27-20)18-14-22(9-11-23-12-10-22)26-19-8-6-5-7-17(18)19/h5-8,13-15,23H,3-4,9-12H2,1-2H3
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n/an/a 3.46E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297321
PNG
(CHEMBL551613 | Isoindolin-2-yl(4-(spiro[chromene-2...)
Show SMILES O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:20|
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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n/an/a 3.50E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:15|
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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n/an/a 3.79E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:16|
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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n/an/a 4.10E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:11|
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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n/an/a 4.24E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:14|
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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n/an/a 4.30E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297319
PNG
(CHEMBL550261 | Piperidin-1-yl(4-(spiro[chromene-2,...)
Show SMILES O=C(N1CCCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C25H28N2O2/c28-24(27-16-4-1-5-17-27)20-10-8-19(9-11-20)22-18-25(12-14-26-15-13-25)29-23-7-3-2-6-21(22)23/h2-3,6-11,18,26H,1,4-5,12-17H2
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n/an/a 4.40E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:15|
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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n/an/a 4.49E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:11|
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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n/an/a 4.60E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297318
PNG
(CHEMBL564922 | Pyrrolidin-1-yl(4-(spiro[chromene-2...)
Show SMILES O=C(N1CCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H26N2O2/c27-23(26-15-3-4-16-26)19-9-7-18(8-10-19)21-17-24(11-13-25-14-12-24)28-22-6-2-1-5-20(21)22/h1-2,5-10,17,25H,3-4,11-16H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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n/an/a 5.09E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297332
PNG
(CHEMBL550669 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(o1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O3/c1-3-24(4-2)21(25)20-10-9-18(26-20)17-15-22(11-13-23-14-12-22)27-19-8-6-5-7-16(17)19/h5-10,15,23H,3-4,11-14H2,1-2H3
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n/an/a 5.13E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:15|
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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n/an/a 5.30E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297333
PNG
(CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-13-16(15-27-20)18-14-22(9-11-23-12-10-22)26-19-8-6-5-7-17(18)19/h5-8,13-15,23H,3-4,9-12H2,1-2H3
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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 human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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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n/an/a 6.20E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297325
PNG
(CHEMBL556439 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C23H26N2O2/c1-3-25(4-2)22(26)18-11-9-17(10-12-18)20-15-23(13-14-24-16-23)27-21-8-6-5-7-19(20)21/h5-12,15,24H,3-4,13-14,16H2,1-2H3
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n/an/a 6.43E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:16|
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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n/an/a 6.81E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |r|
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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n/an/a 7.10E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297341
PNG
(CHEMBL559414 | N,N-Diethyl-3-fluoro-4-(spiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(F)c1 |t:11|
Show InChI InChI=1S/C24H27FN2O2/c1-3-27(4-2)23(28)17-9-10-18(21(25)15-17)20-16-24(11-13-26-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,26H,3-4,11-14H2,1-2H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297320
PNG
(CHEMBL551414 | Morpholino(4-(spiro[chromene-2,4'-p...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C24H26N2O3/c27-23(26-13-15-28-16-14-26)19-7-5-18(6-8-19)21-17-24(9-11-25-12-10-24)29-22-4-2-1-3-20(21)22/h1-8,17,25H,9-16H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:14|
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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n/an/a 7.90E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:15|
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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n/an/a 9.50E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:15|
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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n/an/a 9.50E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297318
PNG
(CHEMBL564922 | Pyrrolidin-1-yl(4-(spiro[chromene-2...)
Show SMILES O=C(N1CCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H26N2O2/c27-23(26-15-3-4-16-26)19-9-7-18(8-10-19)21-17-24(11-13-25-14-12-24)28-22-6-2-1-5-20(21)22/h1-2,5-10,17,25H,3-4,11-16H2
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n/an/a 1.06E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:14|
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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n/an/a 1.18E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297312
PNG
(CHEMBL551412 | N-Ethyl-4-(spiro[chromene-2,4'-pipe...)
Show SMILES CCNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
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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n/an/a 1.20E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297326
PNG
(CHEMBL563700 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-12-10-18(11-13-19)21-16-24(14-7-15-25-17-24)28-22-9-6-5-8-20(21)22/h5-6,8-13,16,25H,3-4,7,14-15,17H2,1-2H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297323
PNG
(2-Ethyl-6-(spiro[chromene-2,4'-piperidine]-4-yl)-3...)
Show SMILES CCN1CCc2cc(ccc2C1=O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H26N2O2/c1-2-26-14-9-18-15-17(7-8-19(18)23(26)27)21-16-24(10-12-25-13-11-24)28-22-6-4-3-5-20(21)22/h3-8,15-16,25H,2,9-14H2,1H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297330
PNG
((S)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12 |r|
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-/m0/s1
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n/an/a 1.85E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:14|
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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n/an/a 2.10E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:15|
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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n/an/a 2.11E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297317
PNG
(CHEMBL561805 | N,N-Dimethyl-4-(spiro[chromene-2,4'...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
Show InChI InChI=1S/C22H24N2O2/c1-24(2)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,11-14H2,1-2H3
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n/an/a 2.31E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:14|
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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n/an/a 3.00E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297335
PNG
(CHEMBL561138 | N,N-Diethyl-6-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(nc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C23H27N3O2/c1-3-26(4-2)22(27)17-9-10-20(25-16-17)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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n/an/a 3.30E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(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 |t:11|
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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n/an/a 4.30E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:14|
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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n/an/a 4.41E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297320
PNG
(CHEMBL551414 | Morpholino(4-(spiro[chromene-2,4'-p...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C24H26N2O3/c27-23(26-13-15-28-16-14-26)19-7-5-18(6-8-19)21-17-24(9-11-25-12-10-24)29-22-4-2-1-3-20(21)22/h1-8,17,25H,9-16H2
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n/an/a 5.43E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:11|
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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n/an/a 5.67E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297335
PNG
(CHEMBL561138 | N,N-Diethyl-6-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(nc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C23H27N3O2/c1-3-26(4-2)22(27)17-9-10-20(25-16-17)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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n/an/a 7.17E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |t:14|
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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n/an/a>1.00E+5n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297314
PNG
(CHEMBL551413 | N-Methyl-4-(spiro[chromene-2,4'-pip...)
Show SMILES CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
Show InChI InChI=1S/C21H22N2O2/c1-22-20(24)16-8-6-15(7-9-16)18-14-21(10-12-23-13-11-21)25-19-5-3-2-4-17(18)19/h2-9,14,23H,10-13H2,1H3,(H,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297341
PNG
(CHEMBL559414 | N,N-Diethyl-3-fluoro-4-(spiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(F)c1 |t:11|
Show InChI InChI=1S/C24H27FN2O2/c1-3-27(4-2)23(28)17-9-10-18(21(25)15-17)20-16-24(11-13-26-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,26H,3-4,11-14H2,1-2H3
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n/an/an/an/a 980n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297318
PNG
(CHEMBL564922 | Pyrrolidin-1-yl(4-(spiro[chromene-2...)
Show SMILES O=C(N1CCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H26N2O2/c27-23(26-15-3-4-16-26)19-9-7-18(8-10-19)21-17-24(11-13-25-14-12-24)28-22-6-2-1-5-20(21)22/h1-2,5-10,17,25H,3-4,11-16H2
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n/an/an/an/a 200n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:14|
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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n/an/an/an/a 19n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297319
PNG
(CHEMBL550261 | Piperidin-1-yl(4-(spiro[chromene-2,...)
Show SMILES O=C(N1CCCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C25H28N2O2/c28-24(27-16-4-1-5-17-27)20-10-8-19(9-11-20)22-18-25(12-14-26-15-13-25)29-23-7-3-2-6-21(22)23/h2-3,6-11,18,26H,1,4-5,12-17H2
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n/an/an/an/a 100n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:12|
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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n/an/an/an/a 90n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:11|
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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n/an/an/an/a 94n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297320
PNG
(CHEMBL551414 | Morpholino(4-(spiro[chromene-2,4'-p...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C24H26N2O3/c27-23(26-13-15-28-16-14-26)19-7-5-18(6-8-19)21-17-24(9-11-25-12-10-24)29-22-4-2-1-3-20(21)22/h1-8,17,25H,9-16H2
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n/an/an/an/a 240n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:14|
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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n/an/an/an/a 92n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297332
PNG
(CHEMBL550669 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(o1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O3/c1-3-24(4-2)21(25)20-10-9-18(26-20)17-15-22(11-13-23-14-12-22)27-19-8-6-5-7-16(17)19/h5-10,15,23H,3-4,11-14H2,1-2H3
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n/an/an/an/a 980n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297325
PNG
(CHEMBL556439 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C23H26N2O2/c1-3-25(4-2)22(26)18-11-9-17(10-12-18)20-15-23(13-14-24-16-23)27-21-8-6-5-7-19(20)21/h5-12,15,24H,3-4,13-14,16H2,1-2H3
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n/an/an/an/a 28n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:14|
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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n/an/an/an/a 20n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297333
PNG
(CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-13-16(15-27-20)18-14-22(9-11-23-12-10-22)26-19-8-6-5-7-17(18)19/h5-8,13-15,23H,3-4,9-12H2,1-2H3
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n/an/an/an/a 370n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:16|
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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n/an/an/an/a 47n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297326
PNG
(CHEMBL563700 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-12-10-18(11-13-19)21-16-24(14-7-15-25-17-24)28-22-9-6-5-8-20(21)22/h5-6,8-13,16,25H,3-4,7,14-15,17H2,1-2H3
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n/an/an/an/a 480n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297330
PNG
((S)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12 |r|
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-/m0/s1
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n/an/an/an/a 420n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:20|
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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n/an/an/an/a 45n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:15|
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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n/an/an/an/a 66n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:13|
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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n/an/an/an/a 69n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297335
PNG
(CHEMBL561138 | N,N-Diethyl-6-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(nc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C23H27N3O2/c1-3-26(4-2)22(27)17-9-10-20(25-16-17)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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n/an/an/an/a 270n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:11|
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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n/an/an/an/a 360n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297315
PNG
(CHEMBL563137 | N-Isobutyl-4-(spiro[chromene-2,4'-p...)
Show SMILES CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-17(2)16-26-23(27)19-9-7-18(8-10-19)21-15-24(11-13-25-14-12-24)28-22-6-4-3-5-20(21)22/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,27)
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n/an/an/an/a 450n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297322
PNG
(CHEMBL551536 | N-Benzyl-N-methyl-4-(spiro[chromene...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:19|
Show InChI InChI=1S/C28H28N2O2/c1-30(20-21-7-3-2-4-8-21)27(31)23-13-11-22(12-14-23)25-19-28(15-17-29-18-16-28)32-26-10-6-5-9-24(25)26/h2-14,19,29H,15-18,20H2,1H3
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n/an/an/an/a 100n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297317
PNG
(CHEMBL561805 | N,N-Dimethyl-4-(spiro[chromene-2,4'...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
Show InChI InChI=1S/C22H24N2O2/c1-24(2)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,11-14H2,1-2H3
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n/an/an/an/a 81n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |r|
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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n/an/an/an/a 16n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:15|
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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n/an/an/an/a 26n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:15|
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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n/an/an/an/a 310n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297323
PNG
(2-Ethyl-6-(spiro[chromene-2,4'-piperidine]-4-yl)-3...)
Show SMILES CCN1CCc2cc(ccc2C1=O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H26N2O2/c1-2-26-14-9-18-15-17(7-8-19(18)23(26)27)21-16-24(10-12-25-13-11-24)28-22-6-4-3-5-20(21)22/h3-8,15-16,25H,2,9-14H2,1H3
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n/an/an/an/a 190n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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n/an/an/an/a 110n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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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n/an/an/an/a 21n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


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


(Homo sapiens (Human))
BDBM50297314
PNG
(CHEMBL551413 | N-Methyl-4-(spiro[chromene-2,4'-pip...)
Show SMILES CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
Show InChI InChI=1S/C21H22N2O2/c1-22-20(24)16-8-6-15(7-9-16)18-14-21(10-12-23-13-11-21)25-19-5-3-2-4-17(18)19/h2-9,14,23H,10-13H2,1H3,(H,22,24)
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n/an/an/an/a 110n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
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 |t:14|
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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n/an/an/an/a 150n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%