BDBM50468029 CHEMBL4282357

SMILES: Cc1coc2c1c(=O)oc(=O)c1c2ccc2c(C)cccc12

InChI Key: InChIKey=KHARNRTVXDAWSR-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50468029   

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
Acyl coenzyme A:cholesterol acyltransferase (Homo sapiens (Human))	BDBM50468029 (CHEMBL4282357) Show SMILES Cc1coc2c1c(=O)oc(=O)c1c2ccc2c(C)cccc12 Show InChI InChI=1S/C18H12O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(20)22-17(19)14-10(2)8-21-16(13)14/h3-8H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human CE1 using o-NPA as substrate				J Nat Prod 81: 2410-2418 (2018) Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50468029 (CHEMBL4282357) Show SMILES Cc1coc2c1c(=O)oc(=O)c1c2ccc2c(C)cccc12 Show InChI InChI=1S/C18H12O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(20)22-17(19)14-10(2)8-21-16(13)14/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylhiocholine as substrate				J Nat Prod 81: 2410-2418 (2018) Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468029 (CHEMBL4282357) Show SMILES Cc1coc2c1c(=O)oc(=O)c1c2ccc2c(C)cccc12 Show InChI InChI=1S/C18H12O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(20)22-17(19)14-10(2)8-21-16(13)14/h3-8H,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate				J Nat Prod 81: 2410-2418 (2018) Article DOI: 10.1021/acs.jnatprod.8b00378 BindingDB Entry DOI: 10.7270/Q2NC63XX
					More data for this Ligand-Target Pair