BDBM50063087 CHEMBL3398415

SMILES: CCCn1c(C)c(cc1C(C)(C)C)C(=O)NC(CC(O)=O)c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=QKBGNKYRVAGQBM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50063087   

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))	BDBM50063087 (CHEMBL3398415) Show SMILES CCCn1c(C)c(cc1C(C)(C)C)C(=O)NC(CC(O)=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C22H29N3O5/c1-6-11-24-14(2)16(12-19(24)22(3,4)5)21(28)23-17(13-20(26)27)15-9-7-8-10-18(15)25(29)30/h7-10,12,17H,6,11,13H2,1-5H3,(H,23,28)(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) Curated by ChEMBL					Assay Description Inhibition of CYP26A1 in ATRA-induced human HL60 cell microsomes incubated for 30 mins using ATRA and NADPH by HPLC method				Bioorg Med Chem 23: 1356-65 (2015) Article DOI: 10.1016/j.bmc.2014.11.036 BindingDB Entry DOI: 10.7270/Q2416ZQG
					More data for this Ligand-Target Pair