Found 6 hits for monomerid = 50127344 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50127344
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1 Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50127344
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1 Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50127344
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1 Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 159 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for kappa opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50127344
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1 Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 159 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for delta opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50127344
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1 Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50127344
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1 Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for kappa opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |