BDBM50523374 CHEMBL4472570

SMILES: Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1

InChI Key: InChIKey=FFQHZQYBYZCMCK-WLOLSGMKSA-N

Data: 3 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 3 hits for monomerid = 50523374   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50523374 (CHEMBL4472570) Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C30H37N5O2.2ClH/c1-37-21-13-14-28-24(18-21)29(23-10-4-6-12-27(23)35-28)32-15-7-2-8-16-33-30(36)25(31)17-20-19-34-26-11-5-3-9-22(20)26;;/h3,5,9,11,13-14,18-19,25,34H,2,4,6-8,10,12,15-17,31H2,1H3,(H,32,35)(H,33,36);2*1H/t25-;;/m0../s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ...				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Rattus norvegicus)	BDBM50523374 (CHEMBL4472570) Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C30H37N5O2.2ClH/c1-37-21-13-14-28-24(18-21)29(23-10-4-6-12-27(23)35-28)32-15-7-2-8-16-33-30(36)25(31)17-20-19-34-26-11-5-3-9-22(20)26;;/h3,5,9,11,13-14,18-19,25,34H,2,4,6-8,10,12,15-17,31H2,1H3,(H,32,35)(H,33,36);2*1H/t25-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50523374 (CHEMBL4472570) Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C30H37N5O2.2ClH/c1-37-21-13-14-28-24(18-21)29(23-10-4-6-12-27(23)35-28)32-15-7-2-8-16-33-30(36)25(31)17-20-19-34-26-11-5-3-9-22(20)26;;/h3,5,9,11,13-14,18-19,25,34H,2,4,6-8,10,12,15-17,31H2,1H3,(H,32,35)(H,33,36);2*1H/t25-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured...				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021
					More data for this Ligand-Target Pair