BDBM50013768 3-O-(tert-Butyldimethylsilyl)-6,14-endo-etheno-7alpha-(3-carboxy-3-n-butenyl) tetrahydrooripavine gama-Lactone::CHEMBL3038193

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(C)CC[C@@]315)ccc4O[Si](C)(C)C(C)(C)C

InChI Key: InChIKey=GKSKATUWAYLQMB-PNNRCKMPSA-N

Data: 1 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 1 hit for monomerid = 50013768   

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 (CALF)	BDBM50013768 (3-O-(tert-Butyldimethylsilyl)-6,14-endo-etheno-7al...) 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(C)CC[C@@]315)ccc4O[Si](C)(C)C(C)(C)C |wU:30.32,8.9,17.19,wD:11.12,14.16,1.0,24.27,c:13,TLB:27:26:11:21.22.23,(13.98,-17.19,;14,-15.33,;15.23,-16.24,;14.74,-17.7,;15.83,-18.78,;13.2,-17.69,;12.42,-19.02,;12.73,-16.21,;14,-13.79,;15.6,-14.73,;15.35,-13.04,;15.37,-11.5,;14,-11.47,;13.99,-12.85,;12.68,-12.99,;11.33,-13.74,;10.02,-12.96,;12.71,-11.47,;11.21,-11.81,;11.96,-9.97,;12.71,-8.41,;14.04,-9.19,;15.37,-8.41,;16.7,-9.2,;16.7,-10.74,;17.1,-12.23,;18.04,-11.52,;19.36,-12.29,;17.78,-9.62,;15.13,-9.62,;14.04,-10.72,;15.37,-6.87,;14.04,-6.1,;12.71,-6.89,;11.37,-6.1,;11.36,-4.56,;9.82,-4.55,;12.9,-4.56,;11.35,-3.02,;10.02,-2.25,;12.68,-2.24,;11.75,-1.53,)| Show InChI InChI=1S/C31H41NO5Si/c1-18-15-22(35-26(18)33)20-17-29-11-12-31(20,34-6)27-30(29)13-14-32(5)23(29)16-19-9-10-21(25(36-27)24(19)30)37-38(7,8)28(2,3)4/h9-12,20,22-23,27H,1,13-17H2,2-8H3/t20-,22-,23-,27-,29-,30+,31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	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
					More data for this Ligand-Target Pair