BDBM50159275 1,6-DMN::1,6-Dimethylnaphthalene::CHEMBL363803

SMILES: Cc1ccc2c(C)cccc2c1

InChI Key: InChIKey=CBMXCNPQDUJNHT-UHFFFAOYSA-N

Data: 5 IC50

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 = 50159275   

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
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50159275 (1,6-DMN | 1,6-Dimethylnaphthalene | CHEMBL363803) Show SMILES Cc1ccc2c(C)cccc2c1 Show InChI InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory concentration against human cytochrome P450 2A6				J Med Chem 48: 440-9 (2005) Article DOI: 10.1021/jm049536b BindingDB Entry DOI: 10.7270/Q20C4WJV
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50159275 (1,6-DMN | 1,6-Dimethylnaphthalene | CHEMBL363803) Show SMILES Cc1ccc2c(C)cccc2c1 Show InChI InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of human CYP2A6				Eur J Med Chem 44: 1941-51 (2009) Article DOI: 10.1016/j.ejmech.2008.11.010 BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
					More data for this Ligand-Target Pair
Cytochrome P450 2A5 (Mus musculus)	BDBM50159275 (1,6-DMN | 1,6-Dimethylnaphthalene | CHEMBL363803) Show SMILES Cc1ccc2c(C)cccc2c1 Show InChI InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of mouse CYP2A5				Eur J Med Chem 44: 1941-51 (2009) Article DOI: 10.1016/j.ejmech.2008.11.010 BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50159275 (1,6-DMN | 1,6-Dimethylnaphthalene | CHEMBL363803) Show SMILES Cc1ccc2c(C)cccc2c1 Show InChI InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human cytochrome P450 1A2				J Med Chem 48: 3808-15 (2005) Article DOI: 10.1021/jm0489713 BindingDB Entry DOI: 10.7270/Q2R2125K
					More data for this Ligand-Target Pair
Cytochrome P450 2A5 (Mus musculus)	BDBM50159275 (1,6-DMN | 1,6-Dimethylnaphthalene | CHEMBL363803) Show SMILES Cc1ccc2c(C)cccc2c1 Show InChI InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory concentration against mouse cytochrome P450 2A5				J Med Chem 48: 440-9 (2005) Article DOI: 10.1021/jm049536b BindingDB Entry DOI: 10.7270/Q20C4WJV
					More data for this Ligand-Target Pair