BDBM50537717 CHEMBL4632994

SMILES: [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccco1)c1ccccc1-c1nc3ccccc3nc21

InChI Key: InChIKey=DJLIRQMAHYBORP-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 = 50537717   

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))	BDBM50537717 (CHEMBL4632994) Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccco1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C26H20N6O3/c33-32(34)24-20(12-15-13-27-14-28-15)31-26(22(24)21-10-5-11-35-21)17-7-2-1-6-16(17)23-25(26)30-19-9-4-3-8-18(19)29-23/h1-11,13-14,20,22,24,31H,12H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.23E+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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50537717 (CHEMBL4632994) Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccco1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C26H20N6O3/c33-32(34)24-20(12-15-13-27-14-28-15)31-26(22(24)21-10-5-11-35-21)17-7-2-1-6-16(17)23-25(26)30-19-9-4-3-8-18(19)29-23/h1-11,13-14,20,22,24,31H,12H2,(H,27,28)	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	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition Protein kinase C gamma				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair