BDBM50537718 CHEMBL4636399

SMILES: [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccn1)c1ccccc1-c1nc3ccccc3nc21

InChI Key: InChIKey=FJQQUHPZFRBAME-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 = 50537718   

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))	BDBM50537718 (CHEMBL4636399) Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccn1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C27H21N7O2/c35-34(36)25-22(13-16-14-28-15-30-16)33-27(23(25)21-11-5-6-12-29-21)18-8-2-1-7-17(18)24-26(27)32-20-10-4-3-9-19(20)31-24/h1-12,14-15,22-23,25,33H,13H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.43E+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))	BDBM50537718 (CHEMBL4636399) Show SMILES [O-][N+](=O)C1C(Cc2c[nH]cn2)NC2(C1c1ccccn1)c1ccccc1-c1nc3ccccc3nc21 Show InChI InChI=1S/C27H21N7O2/c35-34(36)25-22(13-16-14-28-15-30-16)33-27(23(25)21-11-5-6-12-29-21)18-8-2-1-7-17(18)24-26(27)32-20-10-4-3-9-19(20)31-24/h1-12,14-15,22-23,25,33H,13H2,(H,28,30)	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	1.70E+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 delta				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair