BDBM114302 MLS004342536::N-[(2R,4aS,12aS)-2-[2-(ethylamino)-2-keto-ethyl]-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-piperonylamide::N-[(2R,4aS,12aS)-2-[2-(ethylamino)-2-oxidanylidene-ethyl]-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide::N-[(2R,4aS,12aS)-2-[2-(ethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide::SMR003100911::cid_54657116

SMILES: CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc5OCOc5c4)cc3C(=O)N2C)O1

InChI Key: InChIKey=XRADVZUPMFTAIH-HFJQGTKSSA-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 = 114302   

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
Phospholipase C, gamma 1 (Homo sapiens (Human))	BDBM114302 (MLS004342536 | N-[(2R,4aS,12aS)-2-[2-(ethylamino)-...) Show SMILES CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc5OCOc5c4)cc3C(=O)N2C)O1 Show InChI InChI=1S/C26H29N3O7/c1-3-27-24(30)12-17-6-7-19-23(36-17)13-33-20-9-5-16(11-18(20)26(32)29(19)2)28-25(31)15-4-8-21-22(10-15)35-14-34-21/h4-5,8-11,17,19,23H,3,6-7,12-14H2,1-2H3,(H,27,30)(H,28,31)/t17-,19+,23-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2NC5ZV0
					More data for this Ligand-Target Pair
Phospholipase C-beta-3 (Homo sapiens (Human))	BDBM114302 (MLS004342536 | N-[(2R,4aS,12aS)-2-[2-(ethylamino)-...) Show SMILES CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc5OCOc5c4)cc3C(=O)N2C)O1 Show InChI InChI=1S/C26H29N3O7/c1-3-27-24(30)12-17-6-7-19-23(36-17)13-33-20-9-5-16(11-18(20)26(32)29(19)2)28-25(31)15-4-8-21-22(10-15)35-14-34-21/h4-5,8-11,17,19,23H,3,6-7,12-14H2,1-2H3,(H,27,30)(H,28,31)/t17-,19+,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2S46QKQ
					More data for this Ligand-Target Pair