BDBM50013764 5-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)-3-methylenetetrahydro-2-furanone::CHEMBL3038199

SMILES: [H][C@@]1(CC(=C)C(=O)O1)[C@@]1([H])C[C@]23C=C[C@]1(OC)[C@]1([H])Oc4c5c(C[C@@]2([H])N(CC2CC2)CC[C@@]315)ccc4O

InChI Key: InChIKey=OZWOAKUHWIGMQA-IXUQSROBSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013764   

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 opioid receptor (CALF)	BDBM50013764 (5-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-ox...) Show SMILES [H][C@@]1(CC(=C)C(=O)O1)[C@@]1([H])C[C@]23C=C[C@]1(OC)[C@]1([H])Oc4c5c(C[C@@]2([H])N(CC2CC2)CC[C@@]315)ccc4O |wU:33.36,8.9,17.19,wD:11.12,14.16,1.0,24.27,c:13,TLB:27:26:11:21.22.23,(12.43,-15.69,;12.44,-13.82,;13.68,-14.75,;13.19,-16.2,;14.29,-17.29,;11.67,-16.18,;10.88,-17.51,;11.21,-14.72,;12.46,-12.28,;14.06,-13.23,;13.8,-11.53,;13.82,-10.01,;12.44,-9.99,;12.44,-11.35,;11.14,-11.5,;9.8,-12.25,;8.48,-11.46,;11.16,-9.97,;9.66,-10.31,;10.41,-8.48,;11.16,-6.94,;12.51,-7.7,;13.84,-6.94,;15.17,-7.71,;15.15,-9.25,;15.55,-10.74,;16.48,-10.02,;17.81,-10.79,;19.14,-10.02,;20.68,-10.02,;19.54,-8.52,;16.23,-8.13,;13.59,-8.13,;12.49,-9.22,;13.84,-5.39,;12.49,-4.62,;11.16,-5.4,;9.83,-4.62,)| Show InChI InChI=1S/C28H31NO5/c1-15-11-20(33-24(15)31)18-13-26-7-8-28(18,32-2)25-27(26)9-10-29(14-16-3-4-16)21(26)12-17-5-6-19(30)23(34-25)22(17)27/h5-8,16,18,20-21,25,30H,1,3-4,9-14H2,2H3/t18-,20-,21-,25-,26-,27+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of 0.5 nM [3H]- Bremazocine binding to Opioid receptor mu 1 of bovine striatum membrane				J Med Chem 33: 2286-96 (1990) BindingDB Entry DOI: 10.7270/Q2K074WV
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