BDBM86975 (S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanamido)pentanedioic acid::CAS_44453675::NSC_44453675
SMILES: CC1CN(CC(Cc2ccccc2)C(=O)NC(CCC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1
InChI Key: InChIKey=BASSZBBHUWOXEB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 86975 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)) | BDBM86975
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C28H36N2O6/c1-19-17-30(14-13-28(19,2)22-9-6-10-23(31)16-22)18-21(15-20-7-4-3-5-8-20)26(34)29-24(27(35)36)11-12-25(32)33/h3-10,16,19,21,24,31H,11-15,17-18H2,1-2H3,(H,29,34)(H,32,33)(H,35,36) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106 BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86975
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C28H36N2O6/c1-19-17-30(14-13-28(19,2)22-9-6-10-23(31)16-22)18-21(15-20-7-4-3-5-8-20)26(34)29-24(27(35)36)11-12-25(32)33/h3-10,16,19,21,24,31H,11-15,17-18H2,1-2H3,(H,29,34)(H,32,33)(H,35,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106 BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this Ligand-Target Pair | |