BDBM50161786 (4-Isopropyl-phenyl)-carbamic acid 1-methyl-8,10-dioxa-tricyclo[7.2.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester::CHEMBL178792

SMILES: CC(C)c1ccc(NC(=O)Oc2ccc3OC4CC(C)(CO4)c3c2)cc1

InChI Key: InChIKey=KOFCNZPCQOBXHD-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 = 50161786   

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))	BDBM50161786 ((4-Isopropyl-phenyl)-carbamic acid 1-methyl-8,10-d...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3OC4CC(C)(CO4)c3c2)cc1 Show InChI InChI=1S/C21H23NO4/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(10-16)21(3)11-19(26-18)24-12-21/h4-10,13,19H,11-12H2,1-3H3,(H,22,23)	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	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Inhibitory concentration against human erythrocyte Acetylcholinesterase				J Med Chem 48: 986-94 (2005) Article DOI: 10.1021/jm049309+ BindingDB Entry DOI: 10.7270/Q2TM7BWQ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50161786 ((4-Isopropyl-phenyl)-carbamic acid 1-methyl-8,10-d...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3OC4CC(C)(CO4)c3c2)cc1 Show InChI InChI=1S/C21H23NO4/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(10-16)21(3)11-19(26-18)24-12-21/h4-10,13,19H,11-12H2,1-3H3,(H,22,23)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Curated by ChEMBL					Assay Description Inhibitory concentration against human plasma Butyrylcholinesterase				J Med Chem 48: 986-94 (2005) Article DOI: 10.1021/jm049309+ BindingDB Entry DOI: 10.7270/Q2TM7BWQ
					More data for this Ligand-Target Pair