BDBM50342140 3-Imidazol-1-yl-2,2-dimethyl-3-(4-phenylaminophenyl)-propionicAcid Methyl Ester::CHEMBL1766000

SMILES: COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1

InChI Key: InChIKey=XJNXEEASXBUDAQ-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 = 50342140   

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))	BDBM50342140 (3-Imidazol-1-yl-2,2-dimethyl-3-(4-phenylaminopheny...) Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1 Show InChI InChI=1S/C21H23N3O2/c1-21(2,20(25)26-3)19(24-14-13-22-15-24)16-9-11-18(12-10-16)23-17-7-5-4-6-8-17/h4-15,19,23H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of CYP26A1-mediated retionic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation countin...				Bioorg Med Chem 20: 6080-8 (2012) Article DOI: 10.1016/j.bmc.2012.08.044 BindingDB Entry DOI: 10.7270/Q2D21ZQD
					More data for this Ligand-Target Pair
Cytochrome CYP26A1 (Homo sapiens (Human))	BDBM50342140 (3-Imidazol-1-yl-2,2-dimethyl-3-(4-phenylaminopheny...) Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1 Show InChI InChI=1S/C21H23N3O2/c1-21(2,20(25)26-3)19(24-14-13-22-15-24)16-9-11-18(12-10-16)23-17-7-5-4-6-8-17/h4-15,19,23H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting				J Med Chem 54: 2778-91 (2011) Article DOI: 10.1021/jm101583w BindingDB Entry DOI: 10.7270/Q2TT4R8J
					More data for this Ligand-Target Pair