BDBM50162783 CHEMBL179825::{4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-phenyl}-acetic acid methyl ester

SMILES: COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1

InChI Key: InChIKey=GMYMOUHNOWZKMI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50162783   

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 CYP26A1 (Homo sapiens (Human))	BDBM50162783 (CHEMBL179825 | {4-[6-(2-Dimethylamino-1-imidazol-1...) Show SMILES COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C28H31N3O3/c1-20(30(2)3)28(31-14-13-29-19-31)25-10-9-24-17-26(12-11-23(24)16-25)34-18-22-7-5-21(6-8-22)15-27(32)33-4/h5-14,16-17,19-20,28H,15,18H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Potency towards cytochrome P 450 26 enzyme activity				Bioorg Med Chem Lett 15: 1669-73 (2005) Article DOI: 10.1016/j.bmcl.2005.01.044 BindingDB Entry DOI: 10.7270/Q2WW7H5R
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50162783 (CHEMBL179825 | {4-[6-(2-Dimethylamino-1-imidazol-1...) Show SMILES COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C28H31N3O3/c1-20(30(2)3)28(31-14-13-29-19-31)25-10-9-24-17-26(12-11-23(24)16-25)34-18-22-7-5-21(6-8-22)15-27(32)33-4/h5-14,16-17,19-20,28H,15,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Selectivity towards cytochrome P450 3A4 enzyme activity				Bioorg Med Chem Lett 15: 1669-73 (2005) Article DOI: 10.1016/j.bmcl.2005.01.044 BindingDB Entry DOI: 10.7270/Q2WW7H5R
					More data for this Ligand-Target Pair