Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50049080 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 |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM21130
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21008
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50234128
(CHEMBL4083911)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H23NO4/c1-25-10-9-23-19-15-7-8-17(26)21(19)29-22(23)20(27)16(11-14-5-3-2-4-6-14)13-24(23,28)18(25)12-15/h2-8,11,18,22,26,28H,9-10,12-13H2,1H3/b16-11+/t18-,22+,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50234128
(CHEMBL4083911)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H23NO4/c1-25-10-9-23-19-15-7-8-17(26)21(19)29-22(23)20(27)16(11-14-5-3-2-4-6-14)13-24(23,28)18(25)12-15/h2-8,11,18,22,26,28H,9-10,12-13H2,1H3/b16-11+/t18-,22+,23+,24-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50454798
(7-Benzylidenenaltrexone | BNTX)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4| Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in guinea pig brain membranes measured after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50454798
(7-Benzylidenenaltrexone | BNTX)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:17:6.5.4| Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR in guinea pig brain membranes measured after 60 mins by scintillation counting method |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50234130
(CHEMBL4094170)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:21:4.5.6| Show InChI InChI=1S/C31H29NO4/c33-24-12-11-22-18-25-31(35)19-23(17-21-9-5-2-6-10-21)27(34)29-30(31,26(22)28(24)36-29)14-16-32(25)15-13-20-7-3-1-4-8-20/h1-12,17,25,29,33,35H,13-16,18-19H2/b23-17+/t25-,29+,30+,31-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50234130
(CHEMBL4094170)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:21:4.5.6| Show InChI InChI=1S/C31H29NO4/c33-24-12-11-22-18-25-31(35)19-23(17-21-9-5-2-6-10-21)27(34)29-30(31,26(22)28(24)36-29)14-16-32(25)15-13-20-7-3-1-4-8-20/h1-12,17,25,29,33,35H,13-16,18-19H2/b23-17+/t25-,29+,30+,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50234129
(CHEMBL4073537)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:22:4.5.6| Show InChI InChI=1S/C32H31NO4/c34-25-14-13-23-19-26-32(36)20-24(18-22-10-5-2-6-11-22)28(35)30-31(32,27(23)29(25)37-30)15-17-33(26)16-7-12-21-8-3-1-4-9-21/h1-6,8-11,13-14,18,26,30,34,36H,7,12,15-17,19-20H2/b24-18+/t26-,30+,31+,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50234129
(CHEMBL4073537)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:22:4.5.6| Show InChI InChI=1S/C32H31NO4/c34-25-14-13-23-19-26-32(36)20-24(18-22-10-5-2-6-11-22)28(35)30-31(32,27(23)29(25)37-30)15-17-33(26)16-7-12-21-8-3-1-4-9-21/h1-6,8-11,13-14,18,26,30,34,36H,7,12,15-17,19-20H2/b24-18+/t26-,30+,31+,32-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 313 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50234130
(CHEMBL4094170)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:21:4.5.6| Show InChI InChI=1S/C31H29NO4/c33-24-12-11-22-18-25-31(35)19-23(17-21-9-5-2-6-10-21)27(34)29-30(31,26(22)28(24)36-29)14-16-32(25)15-13-20-7-3-1-4-8-20/h1-12,17,25,29,33,35H,13-16,18-19H2/b23-17+/t25-,29+,30+,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 602 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50234129
(CHEMBL4073537)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:22:4.5.6| Show InChI InChI=1S/C32H31NO4/c34-25-14-13-23-19-26-32(36)20-24(18-22-10-5-2-6-11-22)28(35)30-31(32,27(23)29(25)37-30)15-17-33(26)16-7-12-21-8-3-1-4-9-21/h1-6,8-11,13-14,18,26,30,34,36H,7,12,15-17,19-20H2/b24-18+/t26-,30+,31+,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 793 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50234128
(CHEMBL4083911)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H23NO4/c1-25-10-9-23-19-15-7-8-17(26)21(19)29-22(23)20(27)16(11-14-5-3-2-4-6-14)13-24(23,28)18(25)12-15/h2-8,11,18,22,26,28H,9-10,12-13H2,1H3/b16-11+/t18-,22+,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50234128
(CHEMBL4083911)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H23NO4/c1-25-10-9-23-19-15-7-8-17(26)21(19)29-22(23)20(27)16(11-14-5-3-2-4-6-14)13-24(23,28)18(25)12-15/h2-8,11,18,22,26,28H,9-10,12-13H2,1H3/b16-11+/t18-,22+,23+,24-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist activity at MOR (unknown origin) by [35S]GTPgamma binding assay |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50234130
(CHEMBL4094170)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCc6ccccc6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O |r,THB:10:9:21:4.5.6| Show InChI InChI=1S/C31H29NO4/c33-24-12-11-22-18-25-31(35)19-23(17-21-9-5-2-6-10-21)27(34)29-30(31,26(22)28(24)36-29)14-16-32(25)15-13-20-7-3-1-4-8-20/h1-12,17,25,29,33,35H,13-16,18-19H2/b23-17+/t25-,29+,30+,31-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 253 | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist activity at MOR (unknown origin) by [35S]GTPgamma binding assay |
Bioorg Med Chem Lett 27: 666-669 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.057
BindingDB Entry DOI: 10.7270/Q22V2JBQ |
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Ligand-Target Pair | |
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