Found 8 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50070386' 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 |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976 BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation cou... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01376 BindingDB Entry DOI: 10.7270/Q2H41W2P |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033 BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Activation of MOR in guinea pig ileum |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033 BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced contraction by isometric force transducer a... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976 BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/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 | 5.5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human MOR expressed in human U2OS cells assessed as increase in beta arrestin2 recruitment incubated for 90 mins by pathhunter be... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01376 BindingDB Entry DOI: 10.7270/Q2H41W2P |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/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 | 0.100 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human MOR stably expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by liquid ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01376 BindingDB Entry DOI: 10.7270/Q2H41W2P |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/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 | 0.100 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282 BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this Ligand-Target Pair | |