BDBM50008567 1,4-Dimethylbenzol::1,4-xylene::4-methyltoluene::4-xylene::CHEMBL31561::p-Xylol::p-dimethylbenzene::p-xylene::para-xylene

SMILES: Cc1ccc(C)cc1

InChI Key: InChIKey=URLKBWYHVLBVBO-UHFFFAOYSA-N

Data: 2 IC50  3 Kd

PDB links: 4 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 5 hits for monomerid = 50008567   

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))	BDBM50008567 (1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...) Show SMILES Cc1ccc(C)cc1 Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	40	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50008567 (1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...) Show SMILES Cc1ccc(C)cc1 Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB 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
Endolysin (Enterobacteria phage T4)	BDBM50008567 (1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...) Show SMILES Cc1ccc(C)cc1 Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.22E+5	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Binding affinity to Enterobacteria phage T4 lysozyme L99A mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry				J Med Chem 56: 2874-84 (2013) Article DOI: 10.1021/jm301823g BindingDB Entry DOI: 10.7270/Q2ZC85SH
					More data for this Ligand-Target Pair
Endolysin (Enterobacteria phage T4)	BDBM50008567 (1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...) Show SMILES Cc1ccc(C)cc1 Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.51E+5	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102E double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...				J Med Chem 56: 2874-84 (2013) Article DOI: 10.1021/jm301823g BindingDB Entry DOI: 10.7270/Q2ZC85SH
					More data for this Ligand-Target Pair
Lysozyme(L99A) (Enterobacteria phage T4)	BDBM50008567 (1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...) Show SMILES Cc1ccc(C)cc1 Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	4.22E+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				3D Structure (crystal)