BDBM50159250 2-Naphthol::2-naphthalenol::CHEMBL14126::Naphth-2-ol, 10::beta-hydroxynaphthalene::naphthalen-2-ol

SMILES: Oc1ccc2ccccc2c1

InChI Key: InChIKey=JWAZRIHNYRIHIV-UHFFFAOYSA-N

Data: 5 IC50  1 Kd  2 ITC

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50159250   

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
DNA repair and recombination protein (RadA) (Pyrococcus furiosus)	BDBM50159250 (2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...) Show SMILES Oc1ccc2ccccc2c1 Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	4.60E+5	n/a	n/a	n/a	n/a	n/a
University of Cambridge					Assay Description The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...				Chembiochem 14: 332-42 (2013) Article DOI: 10.1002/cbic.201200521 BindingDB Entry DOI: 10.7270/Q2QF8RHG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50159250 (2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...) Show SMILES Oc1ccc2ccccc2c1 Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+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 2A5 (Mus musculus)	BDBM50159250 (2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...) Show SMILES Oc1ccc2ccccc2c1 Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H	PDB MMDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+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 2A5 (Mus musculus)	BDBM50159250 (2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...) Show SMILES Oc1ccc2ccccc2c1 Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H	PDB MMDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50159250 (2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...) Show SMILES Oc1ccc2ccccc2c1 Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H	PDB MMDB Reactome pathway KEGG DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+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 2A6 (Homo sapiens (Human))	BDBM50159250 (2-Naphthol | 2-naphthalenol | CHEMBL14126 | Naphth...) Show SMILES Oc1ccc2ccccc2c1 Show InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+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

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50159250

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM36284	BDBM50159250	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-6.93	3.60	-10.6	5.15	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM50159250	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-7.88	n/a	n/a	5.79	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)