BDBM64863 9,10-Secostrychnidin-10-oic acid, 2, 3-dihydro-4-nitro-2,3-dioxo-::MLS000736512::SMR000528053::cid_221125

SMILES: [H]C12CC3([H])C4C5NC6=C(C(=O)C(=O)C=C6C15CCN2CC3=CCOC4CC(O)=O)[N+]([O-])=O

InChI Key: InChIKey=IVEMPCACOMNRGI-UHFFFAOYSA-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 = 64863   

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
BZLF1 (Human herpesvirus 4)	BDBM64863 (9,10-Secostrychnidin-10-oic acid, 2, 3-dihydro-4-n...) Show SMILES [H]C12CC3([H])C4C5NC6=C(C(=O)C(=O)C=C6C15CCN2CC3=CCOC4CC(O)=O)[N+]([O-])=O |c:14,26,t:8| Show InChI InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>276	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 (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BC3X0T
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM64863 (9,10-Secostrychnidin-10-oic acid, 2, 3-dihydro-4-n...) Show SMILES [H]C12CC3([H])C4C5NC6=C(C(=O)C(=O)C=C6C15CCN2CC3=CCOC4CC(O)=O)[N+]([O-])=O |c:14,26,t:8| Show InChI InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.97E+3	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 (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QN656Q
					More data for this Ligand-Target Pair