BDBM50308432 CHEMBL592432::N-Neopentyl-1'H-phenothiazine-1'-carboxamide

SMILES: CC(C)(C)CNC(=O)N1c2ccccc2Sc2ccccc12

InChI Key: InChIKey=IOIGXILMSZNTOC-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50308432   

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
Cholinesterase (Homo sapiens (Human))	BDBM50308432 (CHEMBL592432 | N-Neopentyl-1'H-phenothiazine-1'-ca...) Show SMILES CC(C)(C)CNC(=O)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C18H20N2OS/c1-18(2,3)12-19-17(21)20-13-8-4-6-10-15(13)22-16-11-7-5-9-14(16)20/h4-11H,12H2,1-3H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
					More data for this Ligand-Target Pair