BDBM50225847 CHEMBL54820

SMILES: CCCOC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45

InChI Key: InChIKey=VSKUDKZDADPATC-NCQVEBNESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50225847   

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
Opioid receptor (Mus musculus (Mouse)-MOUSE)	BDBM50225847 (CHEMBL54820) Show SMILES CCCOC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:23:34:14:29.27.28,15:14:34.18.17:29.27.28,30:29:14:34.18.17| Show InChI InChI=1S/C27H34N2O6/c1-2-13-34-22(32)8-7-21(31)28-18-9-10-27(33)20-14-17-5-6-19(30)24-23(17)26(27,25(18)35-24)11-12-29(20)15-16-3-4-16/h5-8,16,18,20,25,30,33H,2-4,9-15H2,1H3,(H,28,31)/b8-7+/t18-,20?,25?,26?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for agonist activity against opioid receptor in mouse vas deferens preparation				J Med Chem 29: 1868-71 (1986) BindingDB Entry DOI: 10.7270/Q2D50Q50
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50225847 (CHEMBL54820) Show SMILES CCCOC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:23:34:14:29.27.28,15:14:34.18.17:29.27.28,30:29:14:34.18.17| Show InChI InChI=1S/C27H34N2O6/c1-2-13-34-22(32)8-7-21(31)28-18-9-10-27(33)20-14-17-5-6-19(30)24-23(17)26(27,25(18)35-24)11-12-29(20)15-16-3-4-16/h5-8,16,18,20,25,30,33H,2-4,9-15H2,1H3,(H,28,31)/b8-7+/t18-,20?,25?,26?,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand				J Med Chem 29: 1868-71 (1986) BindingDB Entry DOI: 10.7270/Q2D50Q50
					More data for this Ligand-Target Pair