BDBM50537716 CHEMBL4642244

SMILES: COc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O

InChI Key: InChIKey=JUPLNCDYYPPYDS-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 = 50537716   

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))	BDBM50537716 (CHEMBL4642244) Show SMILES COc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O3/c1-38-19-12-10-17(11-13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.15E+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))	BDBM50537716 (CHEMBL4642244) Show SMILES COc1ccc(cc1)C1C(C(Cc2c[nH]cn2)NC11c2ccccc2-c2nc3ccccc3nc12)[N+]([O-])=O Show InChI InChI=1S/C29H24N6O3/c1-38-19-12-10-17(11-13-19)25-27(35(36)37)24(14-18-15-30-16-31-18)34-29(25)21-7-3-2-6-20(21)26-28(29)33-23-9-5-4-8-22(23)32-26/h2-13,15-16,24-25,27,34H,14H2,1H3,(H,30,31)	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	2.05E+3	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 beta 2				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair