BDBM50021257 2-[11,15-dimethoxy-3-methyl-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl]-4-(4-hydroxyphenyl)-2-butanol::CHEMBL61127

SMILES: COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1[C@@](C)(O)CCc1ccc(O)cc1

InChI Key: InChIKey=PCDVNUSHMPVTOE-HYIJIBOHSA-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 = 50021257   

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 (Rattus norvegicus (rat))	BDBM50021257 (2-[11,15-dimethoxy-3-methyl-(14R)-13-oxa-3-azahexa...) Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1[C@@](C)(O)CCc1ccc(O)cc1 |wU:25.32,wD:13.13,22.24,24.30,25.33,17.20,c:23,THB:9:8:22:16.5.6,15:16:22:8.11.10,21:22:16.5.6:8.11.10,(-2.56,-8.78,;-1.02,-8.75,;-.27,-7.4,;-1.07,-6.07,;-.32,-4.74,;1.22,-4.7,;1.96,-3.36,;3.5,-3.34,;4.25,-1.99,;5.58,-1.21,;2.69,-1.98,;2.76,-4.64,;3.53,-5.98,;4.32,-7.3,;2.74,-8.22,;1.27,-7.38,;2.01,-6.03,;5.84,-7.29,;6.45,-8.7,;5.51,-9.92,;5.44,-5.79,;4.67,-6.12,;4.29,-4.65,;5.82,-4.63,;6.6,-5.95,;8.14,-5.93,;8.13,-4.39,;8.13,-7.47,;9.67,-5.93,;10.45,-7.26,;11.99,-7.26,;12.75,-5.91,;14.29,-5.91,;15.07,-7.24,;16.6,-7.23,;14.3,-8.57,;12.76,-8.59,)| Show InChI InChI=1S/C31H37NO5/c1-28(34,12-11-19-5-8-21(33)9-6-19)23-18-29-13-14-31(23,36-4)27-30(29)15-16-32(2)24(29)17-20-7-10-22(35-3)26(37-27)25(20)30/h5-10,13-14,23-24,27,33-34H,11-12,15-18H2,1-4H3/t23-,24?,27-,28+,29-,30?,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of [3H]naltrexone binding to Opioid receptor mu 1 in rat brain homogenates.				J Med Chem 28: 1950-3 (1986) BindingDB Entry DOI: 10.7270/Q2639Q9N
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50021257 (2-[11,15-dimethoxy-3-methyl-(14R)-13-oxa-3-azahexa...) Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1[C@@](C)(O)CCc1ccc(O)cc1 |wU:25.32,wD:13.13,22.24,24.30,25.33,17.20,c:23,THB:9:8:22:16.5.6,15:16:22:8.11.10,21:22:16.5.6:8.11.10,(-2.56,-8.78,;-1.02,-8.75,;-.27,-7.4,;-1.07,-6.07,;-.32,-4.74,;1.22,-4.7,;1.96,-3.36,;3.5,-3.34,;4.25,-1.99,;5.58,-1.21,;2.69,-1.98,;2.76,-4.64,;3.53,-5.98,;4.32,-7.3,;2.74,-8.22,;1.27,-7.38,;2.01,-6.03,;5.84,-7.29,;6.45,-8.7,;5.51,-9.92,;5.44,-5.79,;4.67,-6.12,;4.29,-4.65,;5.82,-4.63,;6.6,-5.95,;8.14,-5.93,;8.13,-4.39,;8.13,-7.47,;9.67,-5.93,;10.45,-7.26,;11.99,-7.26,;12.75,-5.91,;14.29,-5.91,;15.07,-7.24,;16.6,-7.23,;14.3,-8.57,;12.76,-8.59,)| Show InChI InChI=1S/C31H37NO5/c1-28(34,12-11-19-5-8-21(33)9-6-19)23-18-29-13-14-31(23,36-4)27-30(29)15-16-32(2)24(29)17-20-7-10-22(35-3)26(37-27)25(20)30/h5-10,13-14,23-24,27,33-34H,11-12,15-18H2,1-4H3/t23-,24?,27-,28+,29-,30?,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 in rat brain homogenates.				J Med Chem 28: 1950-3 (1986) BindingDB Entry DOI: 10.7270/Q2639Q9N
					More data for this Ligand-Target Pair