Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50268529' 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
(Rattus norvegicus (rat)) | BDBM50268529
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C28H31N5O4/c1-17-25(34)31-22(15-19-16-29-21-11-6-5-10-20(19)21)26(35)32-23(14-18-8-3-2-4-9-18)28(37)33-13-7-12-24(33)27(36)30-17/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,36)(H,31,34)(H,32,35)/t17-,22+,23-,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01915 BindingDB Entry DOI: 10.7270/Q22B931S |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50268529
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C28H31N5O4/c1-17-25(34)31-22(15-19-16-29-21-11-6-5-10-20(19)21)26(35)32-23(14-18-8-3-2-4-9-18)28(37)33-13-7-12-24(33)27(36)30-17/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,36)(H,31,34)(H,32,35)/t17-,22+,23-,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay |
Bioorg Med Chem Lett 19: 3647-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.105 BindingDB Entry DOI: 10.7270/Q2HT2Q8K |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50268529
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C28H31N5O4/c1-17-25(34)31-22(15-19-16-29-21-11-6-5-10-20(19)21)26(35)32-23(14-18-8-3-2-4-9-18)28(37)33-13-7-12-24(33)27(36)30-17/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,36)(H,31,34)(H,32,35)/t17-,22+,23-,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01915 BindingDB Entry DOI: 10.7270/Q22B931S |
More data for this Ligand-Target Pair | |