BDBM50013760 (R)-1-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)ethyl isothiocyanate::CHEMBL3038196

SMILES: [H][C@](C)(N=C=S)[C@@]1([H])C[C@]23C=C[C@]1(OC)[C@]1([H])Oc4c5c(C[C@@]2([H])N(C)CC[C@@]315)ccc4OC

InChI Key: InChIKey=XVYDBKXHAQVZDF-QHJTZBTLSA-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 = 50013760   

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)	BDBM50013760 ((R)-1-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacy...) Show SMILES [H][C@](C)(N=C=S)[C@@]1([H])C[C@]23C=C[C@]1(OC)[C@]1([H])Oc4c5c(C[C@@]2([H])N(C)CC[C@@]315)ccc4OC |wU:28.29,6.6,15.16,wD:9.9,12.13,1.0,22.24,c:10,TLB:25:24:9:19.20.21,(8.88,-11.44,;8.89,-9.57,;10.23,-10.34,;7.54,-10.33,;6.2,-11.09,;4.87,-11.85,;8.89,-8.03,;10.5,-8.98,;10.25,-7.28,;10.27,-5.75,;8.89,-5.73,;8.89,-7.09,;7.58,-7.25,;6.23,-8,;4.92,-7.2,;7.61,-5.71,;6.11,-6.05,;6.86,-4.21,;7.61,-2.67,;8.94,-3.44,;10.27,-2.67,;11.61,-3.44,;11.61,-4.98,;12,-6.47,;12.94,-5.76,;14.27,-6.53,;12.68,-3.86,;10.04,-3.86,;8.94,-4.96,;10.27,-1.12,;8.94,-.35,;7.61,-1.12,;6.27,-.35,;6.27,1.19,)| Show InChI InChI=1S/C24H28N2O3S/c1-14(25-13-30)16-12-22-7-8-24(16,28-4)21-23(22)9-10-26(2)18(22)11-15-5-6-17(27-3)20(29-21)19(15)23/h5-8,14,16,18,21H,9-12H2,1-4H3/t14-,16-,18-,21-,22-,23+,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.16E+3	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