BDBM50007803 CHEMBL3234039

SMILES: Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

InChI Key: InChIKey=LCRUQWLFDXPNPA-UHFFFAOYSA-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 = 50007803   

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))	BDBM50007803 (CHEMBL3234039) Show SMILES Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1| Show InChI InChI=1S/C43H46ClN3O5.ClH/c1-25-18-26-20-27(19-25)37-34(21-26)47-33-24-29(44)14-15-30(33)40(37)45-16-9-7-5-3-2-4-6-8-10-17-46-43(52)28-22-32-39(36(49)23-28)42(51)38-31(41(32)50)12-11-13-35(38)48;/h11-15,18,22-24,26-27,48-49H,2-10,16-17,19-21H2,1H3,(H,45,47)(H,46,52);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method				J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50007803 (CHEMBL3234039) Show SMILES Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1| Show InChI InChI=1S/C43H46ClN3O5.ClH/c1-25-18-26-20-27(19-25)37-34(21-26)47-33-24-29(44)14-15-30(33)40(37)45-16-9-7-5-3-2-4-6-8-10-17-46-43(52)28-22-32-39(36(49)23-28)42(51)38-31(41(32)50)12-11-13-35(38)48;/h11-15,18,22-24,26-27,48-49H,2-10,16-17,19-21H2,1H3,(H,45,47)(H,46,52);1H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl as substrate preincubated for 1 hr ...				J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50007803 (CHEMBL3234039) Show SMILES Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1| Show InChI InChI=1S/C43H46ClN3O5.ClH/c1-25-18-26-20-27(19-25)37-34(21-26)47-33-24-29(44)14-15-30(33)40(37)45-16-9-7-5-3-2-4-6-8-10-17-46-43(52)28-22-32-39(36(49)23-28)42(51)38-31(41(32)50)12-11-13-35(38)48;/h11-15,18,22-24,26-27,48-49H,2-10,16-17,19-21H2,1H3,(H,45,47)(H,46,52);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	645	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method				J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9
					More data for this Ligand-Target Pair