BDBM50008556 1,3-Dimethylbenzol::1,3-xylene::3-xylene::CHEMBL286727::m-Xylol::m-dimethylbenzene::m-methyltoluene::m-xylene::meta-xylene

SMILES: Cc1cccc(C)c1

InChI Key: InChIKey=IVSZLXZYQVIEFR-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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 = 50008556   

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))	BDBM50008556 (1,3-Dimethylbenzol | 1,3-xylene | 3-xylene | CHEMB...) Show SMILES Cc1cccc(C)c1 Show InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	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) BindingDB Entry DOI: 10.7270/Q20G3J3J
					More data for this Ligand-Target Pair
Lysozyme(L99A) (Enterobacteria phage T4)	BDBM50008556 (1,3-Dimethylbenzol | 1,3-xylene | 3-xylene | CHEMB...) Show SMILES Cc1cccc(C)c1 Show InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.64E+5	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Dissociation constant against T4 lysozyme mutant L99A				J Med Chem 48: 3714-28 (2005) Article DOI: 10.1021/jm0491187 BindingDB Entry DOI: 10.7270/Q2VT1SW6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50008556 (1,3-Dimethylbenzol | 1,3-xylene | 3-xylene | CHEMB...) Show SMILES Cc1cccc(C)c1 Show InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase.				J Med Chem 35: 584-9 (1992) BindingDB Entry DOI: 10.7270/Q20G3J3J
					More data for this Ligand-Target Pair