BDBM50523393 CHEMBL4466307

SMILES: Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=LKFURJIBLRSBHC-LPCSYZHESA-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 = 50523393   

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))	BDBM50523393 (CHEMBL4466307) Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C32H40ClN5O.2ClH/c33-23-15-16-26-30(20-23)38-29-14-8-6-12-25(29)31(26)35-17-9-3-1-2-4-10-18-36-32(39)27(34)19-22-21-37-28-13-7-5-11-24(22)28;;/h5,7,11,13,15-16,20-21,27,37H,1-4,6,8-10,12,14,17-19,34H2,(H,35,38)(H,36,39);2*1H/t27-;;/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	50	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)	BDBM50523393 (CHEMBL4466307) Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C32H40ClN5O.2ClH/c33-23-15-16-26-30(20-23)38-29-14-8-6-12-25(29)31(26)35-17-9-3-1-2-4-10-18-36-32(39)27(34)19-22-21-37-28-13-7-5-11-24(22)28;;/h5,7,11,13,15-16,20-21,27,37H,1-4,6,8-10,12,14,17-19,34H2,(H,35,38)(H,36,39);2*1H/t27-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+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))	BDBM50523393 (CHEMBL4466307) Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C32H40ClN5O.2ClH/c33-23-15-16-26-30(20-23)38-29-14-8-6-12-25(29)31(26)35-17-9-3-1-2-4-10-18-36-32(39)27(34)19-22-21-37-28-13-7-5-11-24(22)28;;/h5,7,11,13,15-16,20-21,27,37H,1-4,6,8-10,12,14,17-19,34H2,(H,35,38)(H,36,39);2*1H/t27-;;/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	140	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