null

SMILES: CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O

InChI Key: InChIKey=ZZQJXMZXBWAEFJ-ANYDQABYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 102422   

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
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102422 (US8536192, I-289) Show SMILES CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31| Show InChI InChI=1S/C30H34FN3O6S/c1-16(2)32-28(36)21-14-30(37)23-13-18-5-10-22(35)26-24(18)29(30,11-12-34(23)15-17-3-4-17)27(40-26)25(21)33-41(38,39)20-8-6-19(31)7-9-20/h5-10,16-17,23,27,33,35,37H,3-4,11-15H2,1-2H3,(H,32,36)/t23-,27+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.470	-12.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102422 (US8536192, I-289) Show SMILES CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31| Show InChI InChI=1S/C30H34FN3O6S/c1-16(2)32-28(36)21-14-30(37)23-13-18-5-10-22(35)26-24(18)29(30,11-12-34(23)15-17-3-4-17)27(40-26)25(21)33-41(38,39)20-8-6-19(31)7-9-20/h5-10,16-17,23,27,33,35,37H,3-4,11-15H2,1-2H3,(H,32,36)/t23-,27+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.9	-10.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair