BDBM50537708 CHEMBL4632770

SMILES: [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccc1)c1ccccc1-c1nc3ccccc3nc21

InChI Key: InChIKey=LOSDALWTUOUYIS-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 = 50537708   

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
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50537708 (CHEMBL4632770) Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccc1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C28H22N6O2/c35-34(36)26-23(14-18-15-29-16-30-18)33-28(24(26)17-8-2-1-3-9-17)20-11-5-4-10-19(20)25-27(28)32-22-13-7-6-12-21(22)31-25/h1-13,15-16,23-24,26,33H,14H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of Protein kinase C epsilon				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50537708 (CHEMBL4632770) Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccc1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C28H22N6O2/c35-34(36)26-23(14-18-15-29-16-30-18)33-28(24(26)17-8-2-1-3-9-17)20-11-5-4-10-19(20)25-27(28)32-22-13-7-6-12-21(22)31-25/h1-13,15-16,23-24,26,33H,14H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of Protein kinase C zeta				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair