null
SMILES: OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC
InChI Key: InChIKey=QQGWKMITMREPPL-WLHGVMLRSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50224322 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 |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224322
(CHEMBL1744170)Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC Show InChI InChI=1S/C25H33ClN2O3.C4H4O4/c1-4-28(22-11-7-8-12-23(22)31-3)24(29)19(2)25(30)14-17-27(18-15-25)16-13-20-9-5-6-10-21(20)26;5-3(6)1-2-4(7)8/h5-12,19,30H,4,13-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224322
(CHEMBL1744170)Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC Show InChI InChI=1S/C25H33ClN2O3.C4H4O4/c1-4-28(22-11-7-8-12-23(22)31-3)24(29)19(2)25(30)14-17-27(18-15-25)16-13-20-9-5-6-10-21(20)26;5-3(6)1-2-4(7)8/h5-12,19,30H,4,13-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this Ligand-Target Pair | |