BDBM50008543 1-hydroxy-4-methylbenzene::4-cresol::4-methylphenol::CHEMBL16645::p-Kresol::p-cresol::p-methylphenol::p-tolyl alcohol::paracresol

SMILES: Cc1ccc(O)cc1

InChI Key: InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 11 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50008543   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50008543 (1-hydroxy-4-methylbenzene | 4-cresol | 4-methylphe...) Show SMILES Cc1ccc(O)cc1 Show InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description IC50 against acetylcholinesterase; value ranges from 1-4900 nM.				J Med Chem 35: 584-9 (1992) Article DOI: 10.1021/jm00081a022 BindingDB Entry DOI: 10.7270/Q20G3J3J
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50008543 (1-hydroxy-4-methylbenzene | 4-cresol | 4-methylphe...) Show SMILES Cc1ccc(O)cc1 Show InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.				J Med Chem 35: 584-9 (1992) Article DOI: 10.1021/jm00081a022 BindingDB Entry DOI: 10.7270/Q20G3J3J
					More data for this Ligand-Target Pair