Found 124 hits with Last Name = 'yasuda' and Initial = 'd' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514549
(CHEMBL4548515)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN)c2ccccc12 |r,wD:6.9,3.2,(34,-19.87,;35.3,-19.05,;36.67,-19.77,;35.24,-17.51,;36.54,-16.68,;36.48,-15.14,;35.12,-14.43,;33.81,-15.26,;33.88,-16.79,;35.04,-12.89,;33.68,-12.18,;33.61,-10.65,;34.9,-9.81,;36.27,-10.52,;36.34,-12.06,;34.83,-8.28,;36.03,-7.32,;35.49,-5.88,;36.33,-4.59,;37.86,-4.68,;33.95,-5.95,;32.87,-4.86,;31.38,-5.25,;30.98,-6.74,;32.07,-7.83,;33.54,-7.44,)| Show InChI InChI=1S/C23H35N3/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24)22-5-3-4-6-23(22)26/h3-6,16-18,20-21H,7-15,24H2,1-2H3/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514557
(CHEMBL4541337)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCCC2)c2ccccc12 |r,wD:6.9,3.2,(24.25,-47.25,;23.44,-45.94,;24.17,-44.58,;21.89,-45.98,;21.09,-44.68,;19.54,-44.72,;18.81,-46.07,;19.63,-47.39,;21.16,-47.34,;17.27,-46.13,;16.55,-47.48,;15.01,-47.53,;14.19,-46.23,;14.92,-44.87,;16.46,-44.82,;12.66,-46.28,;11.71,-45.07,;10.26,-45.59,;8.99,-44.74,;7.61,-45.41,;6.25,-44.7,;5.15,-45.76,;5.82,-47.14,;7.34,-46.93,;10.32,-47.13,;9.22,-48.2,;9.59,-49.7,;11.08,-50.11,;12.17,-49.04,;11.8,-47.56,)| Show InChI InChI=1S/C27H41N3/c1-21(2)22-9-11-24(12-10-22)29-17-13-25(14-18-29)30-20-23(19-28-15-5-6-16-28)26-7-3-4-8-27(26)30/h3-4,7-8,20-22,24-25H,5-6,9-19H2,1-2H3/t22-,24+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514553
(CHEMBL4439811)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(\C=N\O)c2ccccc12 |r,wD:6.9,3.2,(48.18,-8.94,;47.37,-7.63,;48.1,-6.27,;45.82,-7.67,;45.02,-6.36,;43.47,-6.41,;42.74,-7.76,;43.56,-9.07,;45.09,-9.03,;41.21,-7.82,;40.48,-9.17,;38.95,-9.22,;38.13,-7.92,;38.85,-6.55,;40.39,-6.51,;36.59,-7.97,;35.65,-6.76,;34.2,-7.28,;32.93,-6.43,;32.98,-4.9,;31.76,-4.04,;34.26,-8.82,;33.15,-9.89,;33.52,-11.38,;35.01,-11.8,;36.11,-10.73,;35.74,-9.25,)| Show InChI InChI=1S/C23H33N3O/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24-27)22-5-3-4-6-23(22)26/h3-6,15-18,20-21,27H,7-14H2,1-2H3/b24-15+/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514550
(CHEMBL4465668)Show SMILES Cl.Cl.CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCN)c2ccccc12 |r,wD:8.9,5.2,(39.44,-35.42,;43.65,-36.4,;46.03,-33.29,;45.22,-31.97,;45.95,-30.61,;43.68,-32.02,;42.87,-30.71,;41.32,-30.75,;40.6,-32.1,;41.41,-33.42,;42.95,-33.37,;39.06,-32.16,;38.33,-33.52,;36.8,-33.57,;35.98,-32.26,;36.7,-30.9,;38.25,-30.85,;34.44,-32.32,;33.5,-31.1,;32.05,-31.63,;30.78,-30.77,;30.88,-29.24,;29.61,-28.39,;32.11,-33.17,;31,-34.24,;31.38,-35.73,;32.86,-36.14,;33.96,-35.07,;33.59,-33.6,)| Show InChI InChI=1S/C24H37N3.2ClH/c1-18(2)19-7-9-21(10-8-19)26-15-12-22(13-16-26)27-17-20(11-14-25)23-5-3-4-6-24(23)27;;/h3-6,17-19,21-22H,7-16,25H2,1-2H3;2*1H/t19-,21+;; | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514549
(CHEMBL4548515)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN)c2ccccc12 |r,wD:6.9,3.2,(34,-19.87,;35.3,-19.05,;36.67,-19.77,;35.24,-17.51,;36.54,-16.68,;36.48,-15.14,;35.12,-14.43,;33.81,-15.26,;33.88,-16.79,;35.04,-12.89,;33.68,-12.18,;33.61,-10.65,;34.9,-9.81,;36.27,-10.52,;36.34,-12.06,;34.83,-8.28,;36.03,-7.32,;35.49,-5.88,;36.33,-4.59,;37.86,-4.68,;33.95,-5.95,;32.87,-4.86,;31.38,-5.25,;30.98,-6.74,;32.07,-7.83,;33.54,-7.44,)| Show InChI InChI=1S/C23H35N3/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24)22-5-3-4-6-23(22)26/h3-6,16-18,20-21H,7-15,24H2,1-2H3/t18-,20+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514541
(CHEMBL4473045)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CC[C@@H](O)C2)c2ccccc12 |r,wD:6.9,3.2,22.24,(23.74,-8.52,;22.92,-7.21,;23.66,-5.85,;21.38,-7.25,;20.57,-5.95,;19.03,-5.99,;18.3,-7.34,;19.12,-8.66,;20.65,-8.61,;16.76,-7.4,;16.04,-8.75,;14.5,-8.81,;13.68,-7.5,;14.4,-6.14,;15.95,-6.09,;12.15,-7.56,;11.2,-6.34,;9.75,-6.87,;8.48,-6.01,;7.1,-6.68,;5.74,-5.97,;4.64,-7.04,;5.31,-8.41,;4.59,-9.77,;6.83,-8.2,;9.81,-8.41,;8.71,-9.47,;9.08,-10.97,;10.56,-11.38,;11.66,-10.31,;11.29,-8.84,)| Show InChI InChI=1S/C27H41N3O/c1-20(2)21-7-9-23(10-8-21)29-15-11-24(12-16-29)30-18-22(17-28-14-13-25(31)19-28)26-5-3-4-6-27(26)30/h3-6,18,20-21,23-25,31H,7-17,19H2,1-2H3/t21-,23+,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514545
(CHEMBL4435280)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1ccc2ccccc12 |r,wD:6.9,3.2,(20.66,-19.76,;21.96,-18.93,;23.33,-19.65,;21.9,-17.39,;23.2,-16.56,;23.13,-15.02,;21.77,-14.31,;20.47,-15.14,;20.53,-16.67,;21.69,-12.77,;20.33,-12.06,;20.26,-10.53,;21.56,-9.69,;22.93,-10.4,;23,-11.94,;21.48,-8.16,;22.69,-7.2,;22.14,-5.76,;20.61,-5.84,;19.52,-4.75,;18.04,-5.14,;17.64,-6.63,;18.72,-7.71,;20.19,-7.32,)| Show InChI InChI=1S/C22H32N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,11,16-18,20-21H,7-10,12-15H2,1-2H3/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514548
(CHEMBL4570328)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1CCc2ccccc12 |r,wD:6.9,3.2,(8.81,-19.41,;10.12,-18.58,;11.48,-19.3,;10.05,-17.04,;11.35,-16.22,;11.29,-14.67,;9.93,-13.96,;8.62,-14.79,;8.69,-16.32,;9.85,-12.42,;8.49,-11.71,;8.42,-10.18,;9.71,-9.35,;11.08,-10.05,;11.15,-11.6,;9.64,-7.81,;10.84,-6.85,;10.3,-5.41,;8.76,-5.49,;7.68,-4.4,;6.19,-4.79,;5.79,-6.28,;6.88,-7.36,;8.35,-6.97,)| Show InChI InChI=1S/C22H34N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,17-18,20-21H,7-16H2,1-2H3/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514539
(CHEMBL4460695)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(52.76,-21.76,;51.95,-20.45,;52.68,-19.09,;50.41,-20.49,;49.6,-19.19,;48.05,-19.23,;47.33,-20.58,;48.14,-21.89,;49.67,-21.85,;45.79,-20.64,;45.06,-21.99,;43.53,-22.04,;42.71,-20.74,;43.43,-19.38,;44.98,-19.33,;41.17,-20.79,;40.23,-19.58,;38.78,-20.1,;37.51,-19.25,;36.13,-19.92,;34.86,-19.07,;33.48,-19.74,;34.96,-17.54,;38.84,-21.64,;37.73,-22.71,;38.11,-24.2,;39.59,-24.62,;40.69,-23.55,;40.32,-22.07,)| Show InChI InChI=1S/C24H36N4S/c1-17(2)18-7-9-20(10-8-18)27-13-11-21(12-14-27)28-16-19(15-26-24(25)29)22-5-3-4-6-23(22)28/h3-6,16-18,20-21H,7-15H2,1-2H3,(H3,25,26,29)/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514552
(CHEMBL4594096)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)[C@@H](N)CCCNC(N)=N)c2ccccc12 |r,wU:22.24,wD:6.9,3.2,(63.55,-38.33,;62.74,-37.01,;63.48,-35.65,;61.19,-37.05,;60.38,-35.75,;58.84,-35.79,;58.11,-37.14,;58.92,-38.46,;60.46,-38.41,;56.57,-37.2,;55.84,-38.56,;54.3,-38.61,;53.48,-37.3,;54.2,-35.94,;55.75,-35.89,;51.94,-37.36,;51,-36.14,;49.55,-36.67,;48.27,-35.81,;46.89,-36.48,;45.62,-35.63,;45.72,-34.09,;44.24,-36.3,;44.13,-37.84,;42.96,-35.45,;41.58,-36.12,;40.3,-35.26,;38.92,-35.94,;37.65,-35.08,;36.27,-35.76,;37.75,-33.55,;49.61,-38.21,;48.5,-39.28,;48.87,-40.77,;50.36,-41.19,;51.46,-40.12,;51.09,-38.64,)| Show InChI InChI=1S/C29H47N7O/c1-20(2)21-9-11-23(12-10-21)35-16-13-24(14-17-35)36-19-22(25-6-3-4-8-27(25)36)18-34-28(37)26(30)7-5-15-33-29(31)32/h3-4,6,8,19-21,23-24,26H,5,7,9-18,30H2,1-2H3,(H,34,37)(H4,31,32,33)/t21-,23+,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514558
(CHEMBL4519453)Show SMILES CCNCC(=O)NCc1cn(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wD:17.17,20.24,(39.61,-48.97,;40.88,-49.83,;42.26,-49.15,;43.53,-50.01,;44.91,-49.33,;45.02,-47.8,;46.19,-50.19,;47.56,-49.51,;48.84,-50.37,;50.29,-49.84,;51.23,-51.06,;52.77,-51,;53.59,-52.31,;55.12,-52.26,;55.85,-50.9,;55.04,-49.59,;53.49,-49.64,;57.39,-50.84,;58.11,-49.49,;59.66,-49.45,;60.47,-50.76,;59.74,-52.11,;58.2,-52.16,;62.01,-50.71,;62.82,-52.03,;62.75,-49.36,;50.38,-52.34,;50.75,-53.81,;49.65,-54.89,;48.16,-54.47,;47.79,-52.98,;48.9,-51.91,)| Show InChI InChI=1S/C27H42N4O/c1-4-28-18-27(32)29-17-22-19-31(26-8-6-5-7-25(22)26)24-13-15-30(16-14-24)23-11-9-21(10-12-23)20(2)3/h5-8,19-21,23-24,28H,4,9-18H2,1-3H3,(H,29,32)/t21-,23+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514547
(CHEMBL4451073)Show SMILES Cl.Cl.CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCN)c2ccccc12 |r,wD:8.9,5.2,(67.26,-34.26,;63.86,-34.67,;69.96,-32.54,;69.15,-31.22,;69.88,-29.86,;67.61,-31.26,;66.8,-29.96,;65.25,-30,;64.52,-31.35,;65.34,-32.67,;66.87,-32.62,;62.99,-31.41,;62.26,-32.77,;60.72,-32.82,;59.9,-31.51,;60.63,-30.15,;62.17,-30.1,;58.37,-31.57,;57.43,-30.35,;55.98,-30.88,;54.7,-30.02,;54.81,-28.49,;53.53,-27.63,;53.64,-26.1,;56.04,-32.42,;54.93,-33.49,;55.3,-34.98,;56.79,-35.39,;57.89,-34.32,;57.51,-32.85,)| Show InChI InChI=1S/C25H39N3.2ClH/c1-19(2)20-9-11-22(12-10-20)27-16-13-23(14-17-27)28-18-21(6-5-15-26)24-7-3-4-8-25(24)28;;/h3-4,7-8,18-20,22-23H,5-6,9-17,26H2,1-2H3;2*1H/t20-,22+;; | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514546
(CHEMBL4521436)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)CCCCCN)c2ccccc12 |r,wD:6.9,3.2,(30.71,-51.51,;29.9,-50.19,;30.64,-48.83,;28.36,-50.23,;27.55,-48.92,;26,-48.97,;25.27,-50.32,;26.09,-51.64,;27.62,-51.59,;23.73,-50.38,;23,-51.74,;21.47,-51.79,;20.64,-50.48,;21.37,-49.12,;22.92,-49.07,;19.11,-50.54,;18.16,-49.32,;16.71,-49.84,;15.44,-48.99,;14.06,-49.66,;12.78,-48.81,;12.89,-47.27,;11.4,-49.48,;10.13,-48.62,;8.75,-49.3,;7.47,-48.44,;6.09,-49.12,;4.82,-48.26,;16.77,-51.39,;15.66,-52.46,;16.04,-53.95,;17.52,-54.37,;18.62,-53.29,;18.25,-51.82,)| Show InChI InChI=1S/C29H46N4O/c1-22(2)23-11-13-25(14-12-23)32-18-15-26(16-19-32)33-21-24(27-8-5-6-9-28(27)33)20-31-29(34)10-4-3-7-17-30/h5-6,8-9,21-23,25-26H,3-4,7,10-20,30H2,1-2H3,(H,31,34)/t23-,25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514555
(CHEMBL4467156)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(77.5,-21.25,;76.69,-19.93,;77.42,-18.58,;75.15,-19.98,;74.34,-18.67,;72.79,-18.71,;72.06,-20.07,;72.88,-21.38,;74.41,-21.34,;70.53,-20.13,;69.8,-21.48,;68.27,-21.53,;67.45,-20.23,;68.17,-18.86,;69.71,-18.81,;65.91,-20.28,;64.97,-19.06,;63.52,-19.59,;62.24,-18.73,;60.87,-19.41,;59.59,-18.55,;58.21,-19.23,;56.94,-18.37,;58.11,-20.76,;63.58,-21.13,;62.47,-22.2,;62.84,-23.69,;64.33,-24.11,;65.43,-23.04,;65.06,-21.56,)| Show InChI InChI=1S/C25H38N4S/c1-18(2)19-7-9-21(10-8-19)28-15-12-22(13-16-28)29-17-20(11-14-27-25(26)30)23-5-3-4-6-24(23)29/h3-6,17-19,21-22H,7-16H2,1-2H3,(H3,26,27,30)/t19-,21+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514554
(CHEMBL4556227)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CC(O)C2)c2ccccc12 |r,wD:6.9,3.2,(51.84,-7.48,;51.03,-6.16,;51.76,-4.81,;49.48,-6.21,;48.68,-4.9,;47.13,-4.94,;46.4,-6.3,;47.22,-7.61,;48.75,-7.57,;44.87,-6.36,;44.14,-7.71,;42.6,-7.76,;41.78,-6.46,;42.51,-5.09,;44.05,-5.04,;40.25,-6.51,;39.3,-5.29,;37.86,-5.82,;36.58,-4.96,;35.2,-5.64,;33.75,-5.14,;33.25,-6.59,;31.87,-7.26,;34.7,-7.09,;37.92,-7.36,;36.81,-8.43,;37.18,-9.92,;38.67,-10.34,;39.77,-9.27,;39.39,-7.79,)| Show InChI InChI=1S/C26H39N3O/c1-19(2)20-7-9-22(10-8-20)28-13-11-23(12-14-28)29-16-21(15-27-17-24(30)18-27)25-5-3-4-6-26(25)29/h3-6,16,19-20,22-24,30H,7-15,17-18H2,1-2H3/t20-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514556
(CHEMBL4591048)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(27.01,-36.98,;26.19,-35.66,;26.93,-34.3,;24.65,-35.71,;23.85,-34.4,;22.3,-34.44,;21.57,-35.79,;22.39,-37.11,;23.92,-37.06,;20.03,-35.85,;19.31,-37.21,;17.77,-37.26,;16.95,-35.95,;17.67,-34.59,;19.22,-34.54,;15.42,-36.01,;14.47,-34.79,;13.02,-35.32,;11.75,-34.46,;10.37,-35.14,;9.1,-34.28,;7.72,-34.96,;6.45,-34.1,;5.07,-34.77,;6.55,-32.57,;13.08,-36.86,;11.98,-37.93,;12.35,-39.42,;13.83,-39.84,;14.93,-38.76,;14.56,-37.29,)| Show InChI InChI=1S/C26H40N4S/c1-19(2)20-9-11-22(12-10-20)29-16-13-23(14-17-29)30-18-21(6-5-15-28-26(27)31)24-7-3-4-8-25(24)30/h3-4,7-8,18-20,22-23H,5-6,9-17H2,1-2H3,(H3,27,28,31)/t20-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514538
(CHEMBL4457077)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN(C)C)c2ccccc12 |r,wD:6.9,3.2,(22.93,-34.28,;22.12,-32.96,;22.85,-31.6,;20.58,-33,;19.77,-31.7,;18.22,-31.74,;17.5,-33.09,;18.31,-34.41,;19.85,-34.36,;15.96,-33.15,;15.23,-34.51,;13.7,-34.56,;12.88,-33.25,;13.6,-31.89,;15.15,-31.84,;11.35,-33.31,;10.4,-32.09,;8.95,-32.62,;7.68,-31.76,;7.78,-30.23,;6.51,-29.38,;9.16,-29.56,;9.01,-34.16,;7.91,-35.23,;8.28,-36.72,;9.76,-37.13,;10.86,-36.06,;10.49,-34.59,)| Show InChI InChI=1S/C25H39N3/c1-19(2)20-9-11-22(12-10-20)27-15-13-23(14-16-27)28-18-21(17-26(3)4)24-7-5-6-8-25(24)28/h5-8,18-20,22-23H,9-17H2,1-4H3/t20-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514540
(CHEMBL4439997)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CO)c2ccccc12 |r,wD:6.9,3.2,(63.96,-12.85,;63.15,-11.53,;63.89,-10.17,;61.61,-11.57,;60.8,-10.27,;59.26,-10.31,;58.53,-11.66,;59.34,-12.98,;60.88,-12.93,;56.99,-11.72,;56.27,-13.07,;54.73,-13.13,;53.91,-11.82,;54.63,-10.46,;56.18,-10.41,;52.38,-11.88,;51.43,-10.66,;49.98,-11.19,;48.71,-10.33,;48.82,-8.8,;50.04,-12.73,;48.94,-13.79,;49.31,-15.29,;50.79,-15.7,;51.89,-14.63,;51.52,-13.16,)| Show InChI InChI=1S/C23H34N2O/c1-17(2)18-7-9-20(10-8-18)24-13-11-21(12-14-24)25-15-19(16-26)22-5-3-4-6-23(22)25/h3-6,15,17-18,20-21,26H,7-14,16H2,1-2H3/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514547
(CHEMBL4451073)Show SMILES Cl.Cl.CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCN)c2ccccc12 |r,wD:8.9,5.2,(67.26,-34.26,;63.86,-34.67,;69.96,-32.54,;69.15,-31.22,;69.88,-29.86,;67.61,-31.26,;66.8,-29.96,;65.25,-30,;64.52,-31.35,;65.34,-32.67,;66.87,-32.62,;62.99,-31.41,;62.26,-32.77,;60.72,-32.82,;59.9,-31.51,;60.63,-30.15,;62.17,-30.1,;58.37,-31.57,;57.43,-30.35,;55.98,-30.88,;54.7,-30.02,;54.81,-28.49,;53.53,-27.63,;53.64,-26.1,;56.04,-32.42,;54.93,-33.49,;55.3,-34.98,;56.79,-35.39,;57.89,-34.32,;57.51,-32.85,)| Show InChI InChI=1S/C25H39N3.2ClH/c1-19(2)20-9-11-22(12-10-20)27-16-13-23(14-17-27)28-18-21(6-5-15-26)24-7-3-4-8-25(24)28;;/h3-4,7-8,18-20,22-23H,5-6,9-17,26H2,1-2H3;2*1H/t20-,22+;; | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514553
(CHEMBL4439811)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(\C=N\O)c2ccccc12 |r,wD:6.9,3.2,(48.18,-8.94,;47.37,-7.63,;48.1,-6.27,;45.82,-7.67,;45.02,-6.36,;43.47,-6.41,;42.74,-7.76,;43.56,-9.07,;45.09,-9.03,;41.21,-7.82,;40.48,-9.17,;38.95,-9.22,;38.13,-7.92,;38.85,-6.55,;40.39,-6.51,;36.59,-7.97,;35.65,-6.76,;34.2,-7.28,;32.93,-6.43,;32.98,-4.9,;31.76,-4.04,;34.26,-8.82,;33.15,-9.89,;33.52,-11.38,;35.01,-11.8,;36.11,-10.73,;35.74,-9.25,)| Show InChI InChI=1S/C23H33N3O/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24-27)22-5-3-4-6-23(22)26/h3-6,15-18,20-21,27H,7-14H2,1-2H3/b24-15+/t18-,20+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514551
(CHEMBL4550088)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCC(O)CC2)c2ccccc12 |r,wD:6.9,3.2,(75.58,-45.79,;74.76,-44.48,;75.5,-43.12,;73.22,-44.52,;72.41,-43.21,;70.87,-43.26,;70.14,-44.61,;70.95,-45.93,;72.49,-45.88,;68.6,-44.67,;67.87,-46.02,;66.34,-46.07,;65.52,-44.77,;66.24,-43.41,;67.79,-43.36,;63.98,-44.82,;63.04,-43.61,;61.59,-44.13,;60.32,-43.28,;58.94,-43.95,;57.67,-43.09,;56.29,-43.76,;56.18,-45.29,;54.8,-45.96,;57.45,-46.15,;58.84,-45.48,;61.65,-45.67,;60.54,-46.74,;60.91,-48.24,;62.4,-48.65,;63.5,-47.58,;63.13,-46.1,)| Show InChI InChI=1S/C28H43N3O/c1-21(2)22-7-9-24(10-8-22)30-17-11-25(12-18-30)31-20-23(27-5-3-4-6-28(27)31)19-29-15-13-26(32)14-16-29/h3-6,20-22,24-26,32H,7-19H2,1-2H3/t22-,24+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514539
(CHEMBL4460695)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(52.76,-21.76,;51.95,-20.45,;52.68,-19.09,;50.41,-20.49,;49.6,-19.19,;48.05,-19.23,;47.33,-20.58,;48.14,-21.89,;49.67,-21.85,;45.79,-20.64,;45.06,-21.99,;43.53,-22.04,;42.71,-20.74,;43.43,-19.38,;44.98,-19.33,;41.17,-20.79,;40.23,-19.58,;38.78,-20.1,;37.51,-19.25,;36.13,-19.92,;34.86,-19.07,;33.48,-19.74,;34.96,-17.54,;38.84,-21.64,;37.73,-22.71,;38.11,-24.2,;39.59,-24.62,;40.69,-23.55,;40.32,-22.07,)| Show InChI InChI=1S/C24H36N4S/c1-17(2)18-7-9-20(10-8-18)27-13-11-21(12-14-27)28-16-19(15-26-24(25)29)22-5-3-4-6-23(22)28/h3-6,16-18,20-21H,7-15H2,1-2H3,(H3,25,26,29)/t18-,20+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50514555
(CHEMBL4467156)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(77.5,-21.25,;76.69,-19.93,;77.42,-18.58,;75.15,-19.98,;74.34,-18.67,;72.79,-18.71,;72.06,-20.07,;72.88,-21.38,;74.41,-21.34,;70.53,-20.13,;69.8,-21.48,;68.27,-21.53,;67.45,-20.23,;68.17,-18.86,;69.71,-18.81,;65.91,-20.28,;64.97,-19.06,;63.52,-19.59,;62.24,-18.73,;60.87,-19.41,;59.59,-18.55,;58.21,-19.23,;56.94,-18.37,;58.11,-20.76,;63.58,-21.13,;62.47,-22.2,;62.84,-23.69,;64.33,-24.11,;65.43,-23.04,;65.06,-21.56,)| Show InChI InChI=1S/C25H38N4S/c1-18(2)19-7-9-21(10-8-19)28-15-12-22(13-16-28)29-17-20(11-14-27-25(26)30)23-5-3-4-6-24(23)29/h3-6,17-19,21-22H,7-16H2,1-2H3,(H3,26,27,30)/t19-,21+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514542
(CHEMBL4473383)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(C(N)=O)c2ccccc12 |r,wD:6.9,3.2,(24.31,-8.5,;23.5,-7.18,;24.23,-5.83,;21.96,-7.23,;21.15,-5.92,;19.6,-5.96,;18.88,-7.32,;19.69,-8.63,;21.22,-8.59,;17.34,-7.38,;16.61,-8.73,;15.08,-8.78,;14.26,-7.48,;14.98,-6.11,;16.53,-6.06,;12.72,-7.53,;11.78,-6.31,;10.33,-6.84,;9.06,-5.98,;7.68,-6.66,;9.16,-4.45,;10.39,-8.38,;9.29,-9.45,;9.66,-10.94,;11.14,-11.36,;12.24,-10.29,;11.87,-8.81,)| Show InChI InChI=1S/C23H33N3O/c1-16(2)17-7-9-18(10-8-17)25-13-11-19(12-14-25)26-15-21(23(24)27)20-5-3-4-6-22(20)26/h3-6,15-19H,7-14H2,1-2H3,(H2,24,27)/t17-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514544
(CHEMBL4518220)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNCCO)c2ccccc12 |r,wD:6.9,3.2,(27.23,-22.87,;26.41,-21.55,;27.15,-20.19,;24.87,-21.59,;24.06,-20.29,;22.52,-20.33,;21.79,-21.68,;22.61,-23,;24.14,-22.95,;20.25,-21.74,;19.53,-23.1,;17.99,-23.15,;17.17,-21.84,;17.9,-20.48,;19.44,-20.43,;15.64,-21.9,;14.69,-20.68,;13.25,-21.21,;11.97,-20.35,;10.59,-21.03,;9.32,-20.17,;7.94,-20.84,;6.67,-19.99,;13.3,-22.75,;12.2,-23.82,;12.57,-25.31,;14.06,-25.72,;15.16,-24.65,;14.78,-23.18,)| Show InChI InChI=1S/C25H39N3O/c1-19(2)20-7-9-22(10-8-20)27-14-11-23(12-15-27)28-18-21(17-26-13-16-29)24-5-3-4-6-25(24)28/h3-6,18-20,22-23,26,29H,7-17H2,1-2H3/t20-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50514549
(CHEMBL4548515)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN)c2ccccc12 |r,wD:6.9,3.2,(34,-19.87,;35.3,-19.05,;36.67,-19.77,;35.24,-17.51,;36.54,-16.68,;36.48,-15.14,;35.12,-14.43,;33.81,-15.26,;33.88,-16.79,;35.04,-12.89,;33.68,-12.18,;33.61,-10.65,;34.9,-9.81,;36.27,-10.52,;36.34,-12.06,;34.83,-8.28,;36.03,-7.32,;35.49,-5.88,;36.33,-4.59,;37.86,-4.68,;33.95,-5.95,;32.87,-4.86,;31.38,-5.25,;30.98,-6.74,;32.07,-7.83,;33.54,-7.44,)| Show InChI InChI=1S/C23H35N3/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24)22-5-3-4-6-23(22)26/h3-6,16-18,20-21H,7-15,24H2,1-2H3/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50514543
(CHEMBL4590786)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCC(N)CC2)c2ccccc12 |r,wD:6.9,3.2,(50.68,-46.35,;49.87,-45.03,;50.61,-43.68,;48.33,-45.08,;47.52,-43.77,;45.97,-43.81,;45.24,-45.17,;46.06,-46.48,;47.59,-46.44,;43.7,-45.23,;42.98,-46.58,;41.44,-46.63,;40.62,-45.33,;41.34,-43.96,;42.89,-43.91,;39.09,-45.38,;38.14,-44.16,;36.69,-44.69,;35.42,-43.83,;34.04,-44.51,;32.77,-43.65,;31.4,-44.32,;31.28,-45.85,;29.9,-46.52,;32.56,-46.71,;33.94,-46.04,;36.75,-46.23,;35.65,-47.3,;36.02,-48.79,;37.5,-49.21,;38.6,-48.14,;38.23,-46.66,)| Show InChI InChI=1S/C28H44N4/c1-21(2)22-7-9-25(10-8-22)31-17-13-26(14-18-31)32-20-23(27-5-3-4-6-28(27)32)19-30-15-11-24(29)12-16-30/h3-6,20-22,24-26H,7-19,29H2,1-2H3/t22-,25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 216 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514555
(CHEMBL4467156)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(77.5,-21.25,;76.69,-19.93,;77.42,-18.58,;75.15,-19.98,;74.34,-18.67,;72.79,-18.71,;72.06,-20.07,;72.88,-21.38,;74.41,-21.34,;70.53,-20.13,;69.8,-21.48,;68.27,-21.53,;67.45,-20.23,;68.17,-18.86,;69.71,-18.81,;65.91,-20.28,;64.97,-19.06,;63.52,-19.59,;62.24,-18.73,;60.87,-19.41,;59.59,-18.55,;58.21,-19.23,;56.94,-18.37,;58.11,-20.76,;63.58,-21.13,;62.47,-22.2,;62.84,-23.69,;64.33,-24.11,;65.43,-23.04,;65.06,-21.56,)| Show InChI InChI=1S/C25H38N4S/c1-18(2)19-7-9-21(10-8-19)28-15-12-22(13-16-28)29-17-20(11-14-27-25(26)30)23-5-3-4-6-24(23)29/h3-6,17-19,21-22H,7-16H2,1-2H3,(H3,26,27,30)/t19-,21+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 227 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514558
(CHEMBL4519453)Show SMILES CCNCC(=O)NCc1cn(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wD:17.17,20.24,(39.61,-48.97,;40.88,-49.83,;42.26,-49.15,;43.53,-50.01,;44.91,-49.33,;45.02,-47.8,;46.19,-50.19,;47.56,-49.51,;48.84,-50.37,;50.29,-49.84,;51.23,-51.06,;52.77,-51,;53.59,-52.31,;55.12,-52.26,;55.85,-50.9,;55.04,-49.59,;53.49,-49.64,;57.39,-50.84,;58.11,-49.49,;59.66,-49.45,;60.47,-50.76,;59.74,-52.11,;58.2,-52.16,;62.01,-50.71,;62.82,-52.03,;62.75,-49.36,;50.38,-52.34,;50.75,-53.81,;49.65,-54.89,;48.16,-54.47,;47.79,-52.98,;48.9,-51.91,)| Show InChI InChI=1S/C27H42N4O/c1-4-28-18-27(32)29-17-22-19-31(26-8-6-5-7-25(22)26)24-13-15-30(16-14-24)23-11-9-21(10-12-23)20(2)3/h5-8,19-21,23-24,28H,4,9-18H2,1-3H3,(H,29,32)/t21-,23+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 269 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514541
(CHEMBL4473045)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CC[C@@H](O)C2)c2ccccc12 |r,wD:6.9,3.2,22.24,(23.74,-8.52,;22.92,-7.21,;23.66,-5.85,;21.38,-7.25,;20.57,-5.95,;19.03,-5.99,;18.3,-7.34,;19.12,-8.66,;20.65,-8.61,;16.76,-7.4,;16.04,-8.75,;14.5,-8.81,;13.68,-7.5,;14.4,-6.14,;15.95,-6.09,;12.15,-7.56,;11.2,-6.34,;9.75,-6.87,;8.48,-6.01,;7.1,-6.68,;5.74,-5.97,;4.64,-7.04,;5.31,-8.41,;4.59,-9.77,;6.83,-8.2,;9.81,-8.41,;8.71,-9.47,;9.08,-10.97,;10.56,-11.38,;11.66,-10.31,;11.29,-8.84,)| Show InChI InChI=1S/C27H41N3O/c1-20(2)21-7-9-23(10-8-21)29-15-11-24(12-16-29)30-18-22(17-28-14-13-25(31)19-28)26-5-3-4-6-27(26)30/h3-6,18,20-21,23-25,31H,7-17,19H2,1-2H3/t21-,23+,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 306 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514545
(CHEMBL4435280)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1ccc2ccccc12 |r,wD:6.9,3.2,(20.66,-19.76,;21.96,-18.93,;23.33,-19.65,;21.9,-17.39,;23.2,-16.56,;23.13,-15.02,;21.77,-14.31,;20.47,-15.14,;20.53,-16.67,;21.69,-12.77,;20.33,-12.06,;20.26,-10.53,;21.56,-9.69,;22.93,-10.4,;23,-11.94,;21.48,-8.16,;22.69,-7.2,;22.14,-5.76,;20.61,-5.84,;19.52,-4.75,;18.04,-5.14,;17.64,-6.63,;18.72,-7.71,;20.19,-7.32,)| Show InChI InChI=1S/C22H32N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,11,16-18,20-21H,7-10,12-15H2,1-2H3/t18-,20+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 376 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514556
(CHEMBL4591048)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(27.01,-36.98,;26.19,-35.66,;26.93,-34.3,;24.65,-35.71,;23.85,-34.4,;22.3,-34.44,;21.57,-35.79,;22.39,-37.11,;23.92,-37.06,;20.03,-35.85,;19.31,-37.21,;17.77,-37.26,;16.95,-35.95,;17.67,-34.59,;19.22,-34.54,;15.42,-36.01,;14.47,-34.79,;13.02,-35.32,;11.75,-34.46,;10.37,-35.14,;9.1,-34.28,;7.72,-34.96,;6.45,-34.1,;5.07,-34.77,;6.55,-32.57,;13.08,-36.86,;11.98,-37.93,;12.35,-39.42,;13.83,-39.84,;14.93,-38.76,;14.56,-37.29,)| Show InChI InChI=1S/C26H40N4S/c1-19(2)20-9-11-22(12-10-20)29-16-13-23(14-17-29)30-18-21(6-5-15-28-26(27)31)24-7-3-4-8-25(24)30/h3-4,7-8,18-20,22-23H,5-6,9-17H2,1-2H3,(H3,27,28,31)/t20-,22+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 382 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514550
(CHEMBL4465668)Show SMILES Cl.Cl.CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCN)c2ccccc12 |r,wD:8.9,5.2,(39.44,-35.42,;43.65,-36.4,;46.03,-33.29,;45.22,-31.97,;45.95,-30.61,;43.68,-32.02,;42.87,-30.71,;41.32,-30.75,;40.6,-32.1,;41.41,-33.42,;42.95,-33.37,;39.06,-32.16,;38.33,-33.52,;36.8,-33.57,;35.98,-32.26,;36.7,-30.9,;38.25,-30.85,;34.44,-32.32,;33.5,-31.1,;32.05,-31.63,;30.78,-30.77,;30.88,-29.24,;29.61,-28.39,;32.11,-33.17,;31,-34.24,;31.38,-35.73,;32.86,-36.14,;33.96,-35.07,;33.59,-33.6,)| Show InChI InChI=1S/C24H37N3.2ClH/c1-18(2)19-7-9-21(10-8-19)26-15-12-22(13-16-26)27-17-20(11-14-25)23-5-3-4-6-24(23)27;;/h3-6,17-19,21-22H,7-16,25H2,1-2H3;2*1H/t19-,21+;; | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50514542
(CHEMBL4473383)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(C(N)=O)c2ccccc12 |r,wD:6.9,3.2,(24.31,-8.5,;23.5,-7.18,;24.23,-5.83,;21.96,-7.23,;21.15,-5.92,;19.6,-5.96,;18.88,-7.32,;19.69,-8.63,;21.22,-8.59,;17.34,-7.38,;16.61,-8.73,;15.08,-8.78,;14.26,-7.48,;14.98,-6.11,;16.53,-6.06,;12.72,-7.53,;11.78,-6.31,;10.33,-6.84,;9.06,-5.98,;7.68,-6.66,;9.16,-4.45,;10.39,-8.38,;9.29,-9.45,;9.66,-10.94,;11.14,-11.36,;12.24,-10.29,;11.87,-8.81,)| Show InChI InChI=1S/C23H33N3O/c1-16(2)17-7-9-18(10-8-17)25-13-11-19(12-14-25)26-15-21(23(24)27)20-5-3-4-6-22(20)26/h3-6,15-19H,7-14H2,1-2H3,(H2,24,27)/t17-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 446 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514542
(CHEMBL4473383)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(C(N)=O)c2ccccc12 |r,wD:6.9,3.2,(24.31,-8.5,;23.5,-7.18,;24.23,-5.83,;21.96,-7.23,;21.15,-5.92,;19.6,-5.96,;18.88,-7.32,;19.69,-8.63,;21.22,-8.59,;17.34,-7.38,;16.61,-8.73,;15.08,-8.78,;14.26,-7.48,;14.98,-6.11,;16.53,-6.06,;12.72,-7.53,;11.78,-6.31,;10.33,-6.84,;9.06,-5.98,;7.68,-6.66,;9.16,-4.45,;10.39,-8.38,;9.29,-9.45,;9.66,-10.94,;11.14,-11.36,;12.24,-10.29,;11.87,-8.81,)| Show InChI InChI=1S/C23H33N3O/c1-16(2)17-7-9-18(10-8-17)25-13-11-19(12-14-25)26-15-21(23(24)27)20-5-3-4-6-22(20)26/h3-6,15-19H,7-14H2,1-2H3,(H2,24,27)/t17-,18+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 453 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514557
(CHEMBL4541337)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCCC2)c2ccccc12 |r,wD:6.9,3.2,(24.25,-47.25,;23.44,-45.94,;24.17,-44.58,;21.89,-45.98,;21.09,-44.68,;19.54,-44.72,;18.81,-46.07,;19.63,-47.39,;21.16,-47.34,;17.27,-46.13,;16.55,-47.48,;15.01,-47.53,;14.19,-46.23,;14.92,-44.87,;16.46,-44.82,;12.66,-46.28,;11.71,-45.07,;10.26,-45.59,;8.99,-44.74,;7.61,-45.41,;6.25,-44.7,;5.15,-45.76,;5.82,-47.14,;7.34,-46.93,;10.32,-47.13,;9.22,-48.2,;9.59,-49.7,;11.08,-50.11,;12.17,-49.04,;11.8,-47.56,)| Show InChI InChI=1S/C27H41N3/c1-21(2)22-9-11-24(12-10-22)29-17-13-25(14-18-29)30-20-23(19-28-15-5-6-16-28)26-7-3-4-8-27(26)30/h3-4,7-8,20-22,24-25H,5-6,9-19H2,1-2H3/t22-,24+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 453 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50514557
(CHEMBL4541337)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCCC2)c2ccccc12 |r,wD:6.9,3.2,(24.25,-47.25,;23.44,-45.94,;24.17,-44.58,;21.89,-45.98,;21.09,-44.68,;19.54,-44.72,;18.81,-46.07,;19.63,-47.39,;21.16,-47.34,;17.27,-46.13,;16.55,-47.48,;15.01,-47.53,;14.19,-46.23,;14.92,-44.87,;16.46,-44.82,;12.66,-46.28,;11.71,-45.07,;10.26,-45.59,;8.99,-44.74,;7.61,-45.41,;6.25,-44.7,;5.15,-45.76,;5.82,-47.14,;7.34,-46.93,;10.32,-47.13,;9.22,-48.2,;9.59,-49.7,;11.08,-50.11,;12.17,-49.04,;11.8,-47.56,)| Show InChI InChI=1S/C27H41N3/c1-21(2)22-9-11-24(12-10-22)29-17-13-25(14-18-29)30-20-23(19-28-15-5-6-16-28)26-7-3-4-8-27(26)30/h3-4,7-8,20-22,24-25H,5-6,9-19H2,1-2H3/t22-,24+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 461 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514538
(CHEMBL4457077)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN(C)C)c2ccccc12 |r,wD:6.9,3.2,(22.93,-34.28,;22.12,-32.96,;22.85,-31.6,;20.58,-33,;19.77,-31.7,;18.22,-31.74,;17.5,-33.09,;18.31,-34.41,;19.85,-34.36,;15.96,-33.15,;15.23,-34.51,;13.7,-34.56,;12.88,-33.25,;13.6,-31.89,;15.15,-31.84,;11.35,-33.31,;10.4,-32.09,;8.95,-32.62,;7.68,-31.76,;7.78,-30.23,;6.51,-29.38,;9.16,-29.56,;9.01,-34.16,;7.91,-35.23,;8.28,-36.72,;9.76,-37.13,;10.86,-36.06,;10.49,-34.59,)| Show InChI InChI=1S/C25H39N3/c1-19(2)20-9-11-22(12-10-20)27-15-13-23(14-16-27)28-18-21(17-26(3)4)24-7-5-6-8-25(24)28/h5-8,18-20,22-23H,9-17H2,1-4H3/t20-,22+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 504 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50514548
(CHEMBL4570328)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1CCc2ccccc12 |r,wD:6.9,3.2,(8.81,-19.41,;10.12,-18.58,;11.48,-19.3,;10.05,-17.04,;11.35,-16.22,;11.29,-14.67,;9.93,-13.96,;8.62,-14.79,;8.69,-16.32,;9.85,-12.42,;8.49,-11.71,;8.42,-10.18,;9.71,-9.35,;11.08,-10.05,;11.15,-11.6,;9.64,-7.81,;10.84,-6.85,;10.3,-5.41,;8.76,-5.49,;7.68,-4.4,;6.19,-4.79,;5.79,-6.28,;6.88,-7.36,;8.35,-6.97,)| Show InChI InChI=1S/C22H34N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,17-18,20-21H,7-16H2,1-2H3/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514548
(CHEMBL4570328)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1CCc2ccccc12 |r,wD:6.9,3.2,(8.81,-19.41,;10.12,-18.58,;11.48,-19.3,;10.05,-17.04,;11.35,-16.22,;11.29,-14.67,;9.93,-13.96,;8.62,-14.79,;8.69,-16.32,;9.85,-12.42,;8.49,-11.71,;8.42,-10.18,;9.71,-9.35,;11.08,-10.05,;11.15,-11.6,;9.64,-7.81,;10.84,-6.85,;10.3,-5.41,;8.76,-5.49,;7.68,-4.4,;6.19,-4.79,;5.79,-6.28,;6.88,-7.36,;8.35,-6.97,)| Show InChI InChI=1S/C22H34N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,17-18,20-21H,7-16H2,1-2H3/t18-,20+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 604 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50514552
(CHEMBL4594096)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)[C@@H](N)CCCNC(N)=N)c2ccccc12 |r,wU:22.24,wD:6.9,3.2,(63.55,-38.33,;62.74,-37.01,;63.48,-35.65,;61.19,-37.05,;60.38,-35.75,;58.84,-35.79,;58.11,-37.14,;58.92,-38.46,;60.46,-38.41,;56.57,-37.2,;55.84,-38.56,;54.3,-38.61,;53.48,-37.3,;54.2,-35.94,;55.75,-35.89,;51.94,-37.36,;51,-36.14,;49.55,-36.67,;48.27,-35.81,;46.89,-36.48,;45.62,-35.63,;45.72,-34.09,;44.24,-36.3,;44.13,-37.84,;42.96,-35.45,;41.58,-36.12,;40.3,-35.26,;38.92,-35.94,;37.65,-35.08,;36.27,-35.76,;37.75,-33.55,;49.61,-38.21,;48.5,-39.28,;48.87,-40.77,;50.36,-41.19,;51.46,-40.12,;51.09,-38.64,)| Show InChI InChI=1S/C29H47N7O/c1-20(2)21-9-11-23(12-10-21)35-16-13-24(14-17-35)36-19-22(25-6-3-4-8-27(25)36)18-34-28(37)26(30)7-5-15-33-29(31)32/h3-4,6,8,19-21,23-24,26H,5,7,9-18,30H2,1-2H3,(H,34,37)(H4,31,32,33)/t21-,23+,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 674 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514540
(CHEMBL4439997)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CO)c2ccccc12 |r,wD:6.9,3.2,(63.96,-12.85,;63.15,-11.53,;63.89,-10.17,;61.61,-11.57,;60.8,-10.27,;59.26,-10.31,;58.53,-11.66,;59.34,-12.98,;60.88,-12.93,;56.99,-11.72,;56.27,-13.07,;54.73,-13.13,;53.91,-11.82,;54.63,-10.46,;56.18,-10.41,;52.38,-11.88,;51.43,-10.66,;49.98,-11.19,;48.71,-10.33,;48.82,-8.8,;50.04,-12.73,;48.94,-13.79,;49.31,-15.29,;50.79,-15.7,;51.89,-14.63,;51.52,-13.16,)| Show InChI InChI=1S/C23H34N2O/c1-17(2)18-7-9-20(10-8-18)24-13-11-21(12-14-24)25-15-19(16-26)22-5-3-4-6-23(22)25/h3-6,15,17-18,20-21,26H,7-14,16H2,1-2H3/t18-,20+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 716 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50514556
(CHEMBL4591048)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(27.01,-36.98,;26.19,-35.66,;26.93,-34.3,;24.65,-35.71,;23.85,-34.4,;22.3,-34.44,;21.57,-35.79,;22.39,-37.11,;23.92,-37.06,;20.03,-35.85,;19.31,-37.21,;17.77,-37.26,;16.95,-35.95,;17.67,-34.59,;19.22,-34.54,;15.42,-36.01,;14.47,-34.79,;13.02,-35.32,;11.75,-34.46,;10.37,-35.14,;9.1,-34.28,;7.72,-34.96,;6.45,-34.1,;5.07,-34.77,;6.55,-32.57,;13.08,-36.86,;11.98,-37.93,;12.35,-39.42,;13.83,-39.84,;14.93,-38.76,;14.56,-37.29,)| Show InChI InChI=1S/C26H40N4S/c1-19(2)20-9-11-22(12-10-20)29-16-13-23(14-17-29)30-18-21(6-5-15-28-26(27)31)24-7-3-4-8-25(24)30/h3-4,7-8,18-20,22-23H,5-6,9-17H2,1-2H3,(H3,27,28,31)/t20-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514552
(CHEMBL4594096)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)[C@@H](N)CCCNC(N)=N)c2ccccc12 |r,wU:22.24,wD:6.9,3.2,(63.55,-38.33,;62.74,-37.01,;63.48,-35.65,;61.19,-37.05,;60.38,-35.75,;58.84,-35.79,;58.11,-37.14,;58.92,-38.46,;60.46,-38.41,;56.57,-37.2,;55.84,-38.56,;54.3,-38.61,;53.48,-37.3,;54.2,-35.94,;55.75,-35.89,;51.94,-37.36,;51,-36.14,;49.55,-36.67,;48.27,-35.81,;46.89,-36.48,;45.62,-35.63,;45.72,-34.09,;44.24,-36.3,;44.13,-37.84,;42.96,-35.45,;41.58,-36.12,;40.3,-35.26,;38.92,-35.94,;37.65,-35.08,;36.27,-35.76,;37.75,-33.55,;49.61,-38.21,;48.5,-39.28,;48.87,-40.77,;50.36,-41.19,;51.46,-40.12,;51.09,-38.64,)| Show InChI InChI=1S/C29H47N7O/c1-20(2)21-9-11-23(12-10-21)35-16-13-24(14-17-35)36-19-22(25-6-3-4-8-27(25)36)18-34-28(37)26(30)7-5-15-33-29(31)32/h3-4,6,8,19-21,23-24,26H,5,7,9-18,30H2,1-2H3,(H,34,37)(H4,31,32,33)/t21-,23+,26-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 857 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50514545
(CHEMBL4435280)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1ccc2ccccc12 |r,wD:6.9,3.2,(20.66,-19.76,;21.96,-18.93,;23.33,-19.65,;21.9,-17.39,;23.2,-16.56,;23.13,-15.02,;21.77,-14.31,;20.47,-15.14,;20.53,-16.67,;21.69,-12.77,;20.33,-12.06,;20.26,-10.53,;21.56,-9.69,;22.93,-10.4,;23,-11.94,;21.48,-8.16,;22.69,-7.2,;22.14,-5.76,;20.61,-5.84,;19.52,-4.75,;18.04,-5.14,;17.64,-6.63,;18.72,-7.71,;20.19,-7.32,)| Show InChI InChI=1S/C22H32N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,11,16-18,20-21H,7-10,12-15H2,1-2H3/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 923 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human DOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514546
(CHEMBL4521436)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)CCCCCN)c2ccccc12 |r,wD:6.9,3.2,(30.71,-51.51,;29.9,-50.19,;30.64,-48.83,;28.36,-50.23,;27.55,-48.92,;26,-48.97,;25.27,-50.32,;26.09,-51.64,;27.62,-51.59,;23.73,-50.38,;23,-51.74,;21.47,-51.79,;20.64,-50.48,;21.37,-49.12,;22.92,-49.07,;19.11,-50.54,;18.16,-49.32,;16.71,-49.84,;15.44,-48.99,;14.06,-49.66,;12.78,-48.81,;12.89,-47.27,;11.4,-49.48,;10.13,-48.62,;8.75,-49.3,;7.47,-48.44,;6.09,-49.12,;4.82,-48.26,;16.77,-51.39,;15.66,-52.46,;16.04,-53.95,;17.52,-54.37,;18.62,-53.29,;18.25,-51.82,)| Show InChI InChI=1S/C29H46N4O/c1-22(2)23-11-13-25(14-12-23)32-18-15-26(16-19-32)33-21-24(27-8-5-6-9-28(27)33)20-31-29(34)10-4-3-7-17-30/h5-6,8-9,21-23,25-26H,3-4,7,10-20,30H2,1-2H3,(H,31,34)/t23-,25+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 949 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514544
(CHEMBL4518220)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNCCO)c2ccccc12 |r,wD:6.9,3.2,(27.23,-22.87,;26.41,-21.55,;27.15,-20.19,;24.87,-21.59,;24.06,-20.29,;22.52,-20.33,;21.79,-21.68,;22.61,-23,;24.14,-22.95,;20.25,-21.74,;19.53,-23.1,;17.99,-23.15,;17.17,-21.84,;17.9,-20.48,;19.44,-20.43,;15.64,-21.9,;14.69,-20.68,;13.25,-21.21,;11.97,-20.35,;10.59,-21.03,;9.32,-20.17,;7.94,-20.84,;6.67,-19.99,;13.3,-22.75,;12.2,-23.82,;12.57,-25.31,;14.06,-25.72,;15.16,-24.65,;14.78,-23.18,)| Show InChI InChI=1S/C25H39N3O/c1-19(2)20-7-9-22(10-8-20)27-14-11-23(12-15-27)28-18-21(17-26-13-16-29)24-5-3-4-6-25(24)28/h3-6,18-20,22-23,26,29H,7-17H2,1-2H3/t20-,22+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 973 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50514543
(CHEMBL4590786)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCC(N)CC2)c2ccccc12 |r,wD:6.9,3.2,(50.68,-46.35,;49.87,-45.03,;50.61,-43.68,;48.33,-45.08,;47.52,-43.77,;45.97,-43.81,;45.24,-45.17,;46.06,-46.48,;47.59,-46.44,;43.7,-45.23,;42.98,-46.58,;41.44,-46.63,;40.62,-45.33,;41.34,-43.96,;42.89,-43.91,;39.09,-45.38,;38.14,-44.16,;36.69,-44.69,;35.42,-43.83,;34.04,-44.51,;32.77,-43.65,;31.4,-44.32,;31.28,-45.85,;29.9,-46.52,;32.56,-46.71,;33.94,-46.04,;36.75,-46.23,;35.65,-47.3,;36.02,-48.79,;37.5,-49.21,;38.6,-48.14,;38.23,-46.66,)| Show InChI InChI=1S/C28H44N4/c1-21(2)22-7-9-25(10-8-22)31-17-13-26(14-18-31)32-20-23(27-5-3-4-6-28(27)32)19-30-15-11-24(29)12-16-30/h3-6,20-22,24-26H,7-19,29H2,1-2H3/t22-,25+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50514547
(CHEMBL4451073)Show SMILES Cl.Cl.CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCN)c2ccccc12 |r,wD:8.9,5.2,(67.26,-34.26,;63.86,-34.67,;69.96,-32.54,;69.15,-31.22,;69.88,-29.86,;67.61,-31.26,;66.8,-29.96,;65.25,-30,;64.52,-31.35,;65.34,-32.67,;66.87,-32.62,;62.99,-31.41,;62.26,-32.77,;60.72,-32.82,;59.9,-31.51,;60.63,-30.15,;62.17,-30.1,;58.37,-31.57,;57.43,-30.35,;55.98,-30.88,;54.7,-30.02,;54.81,-28.49,;53.53,-27.63,;53.64,-26.1,;56.04,-32.42,;54.93,-33.49,;55.3,-34.98,;56.79,-35.39,;57.89,-34.32,;57.51,-32.85,)| Show InChI InChI=1S/C25H39N3.2ClH/c1-19(2)20-9-11-22(12-10-20)27-16-13-23(14-17-27)28-18-21(6-5-15-26)24-7-3-4-8-25(24)28;;/h3-4,7-8,18-20,22-23H,5-6,9-17,26H2,1-2H3;2*1H/t20-,22+;; | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50514539
(CHEMBL4460695)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(52.76,-21.76,;51.95,-20.45,;52.68,-19.09,;50.41,-20.49,;49.6,-19.19,;48.05,-19.23,;47.33,-20.58,;48.14,-21.89,;49.67,-21.85,;45.79,-20.64,;45.06,-21.99,;43.53,-22.04,;42.71,-20.74,;43.43,-19.38,;44.98,-19.33,;41.17,-20.79,;40.23,-19.58,;38.78,-20.1,;37.51,-19.25,;36.13,-19.92,;34.86,-19.07,;33.48,-19.74,;34.96,-17.54,;38.84,-21.64,;37.73,-22.71,;38.11,-24.2,;39.59,-24.62,;40.69,-23.55,;40.32,-22.07,)| Show InChI InChI=1S/C24H36N4S/c1-17(2)18-7-9-20(10-8-18)27-13-11-21(12-14-27)28-16-19(15-26-24(25)29)22-5-3-4-6-23(22)28/h3-6,16-18,20-21H,7-15H2,1-2H3,(H3,25,26,29)/t18-,20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astraea Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method |
J Med Chem 63: 2688-2704 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02134
BindingDB Entry DOI: 10.7270/Q2CJ8HV0 |
More data for this
Ligand-Target Pair | |
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