null

SMILES: CC(C)c1ccc(NC(=O)Oc2ccc3NC4NCC[C@@]4(C)c3c2)cc1

InChI Key: InChIKey=ZIGIADNCAWZUAB-QWAKEFERSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50077257   

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))	BDBM50077257 ((4-Isopropyl-phenyl)-carbamic acid (S)-3a-methyl-1...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3NC4NCC[C@@]4(C)c3c2)cc1 Show InChI InChI=1S/C21H25N3O2/c1-13(2)14-4-6-15(7-5-14)23-20(25)26-16-8-9-18-17(12-16)21(3)10-11-22-19(21)24-18/h4-9,12-13,19,22,24H,10-11H2,1-3H3,(H,23,25)/t19?,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Intramural Research Program Curated by ChEMBL					Assay Description Ability to inhibit acetylcholinesterase (AChE), freshly prepared from human erythrocytes				J Med Chem 42: 1855-61 (1999) Article DOI: 10.1021/jm980459s BindingDB Entry DOI: 10.7270/Q22N51GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50077257 ((4-Isopropyl-phenyl)-carbamic acid (S)-3a-methyl-1...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3NC4NCC[C@@]4(C)c3c2)cc1 Show InChI InChI=1S/C21H25N3O2/c1-13(2)14-4-6-15(7-5-14)23-20(25)26-16-8-9-18-17(12-16)21(3)10-11-22-19(21)24-18/h4-9,12-13,19,22,24H,10-11H2,1-3H3,(H,23,25)/t19?,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University W£rzburg Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetyl-(beta-methyl)thiocholine as substrate preincubated for 30 mins followed by substrate addition and m...				J Med Chem 62: 9116-9140 (2019) Article DOI: 10.1021/acs.jmedchem.9b01012
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50077257 ((4-Isopropyl-phenyl)-carbamic acid (S)-3a-methyl-1...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3NC4NCC[C@@]4(C)c3c2)cc1 Show InChI InChI=1S/C21H25N3O2/c1-13(2)14-4-6-15(7-5-14)23-20(25)26-16-8-9-18-17(12-16)21(3)10-11-22-19(21)24-18/h4-9,12-13,19,22,24H,10-11H2,1-3H3,(H,23,25)/t19?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University W£rzburg Curated by ChEMBL					Assay Description Inhibition of human plasma BChE using s-butyrylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25...				J Med Chem 62: 9116-9140 (2019) Article DOI: 10.1021/acs.jmedchem.9b01012
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50077257 ((4-Isopropyl-phenyl)-carbamic acid (S)-3a-methyl-1...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3NC4NCC[C@@]4(C)c3c2)cc1 Show InChI InChI=1S/C21H25N3O2/c1-13(2)14-4-6-15(7-5-14)23-20(25)26-16-8-9-18-17(12-16)21(3)10-11-22-19(21)24-18/h4-9,12-13,19,22,24H,10-11H2,1-3H3,(H,23,25)/t19?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Aging Intramural Research Program Curated by ChEMBL					Assay Description Ability to inhibit butyrylcholinesterase (BChE), freshly prepared from human plasma				J Med Chem 42: 1855-61 (1999) Article DOI: 10.1021/jm980459s BindingDB Entry DOI: 10.7270/Q22N51GC
					More data for this Ligand-Target Pair