BDBM50239592 CHEMBL4078072

SMILES: CCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Oc1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=XUEJZYKHBJYFNX-UHFFFAOYSA-N

Data: 1 KI

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 = 50239592   

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 1A (Homo sapiens (Human))	BDBM50239592 (CHEMBL4078072) Show SMILES CCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Oc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C22H28N2O7S/c1-5-6-11-23-12-13-24(22(23)25)16-7-9-18(10-8-16)32(26,27)31-17-14-19(28-2)21(30-4)20(15-17)29-3/h7-10,14-15H,5-6,11-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H�pital Saint-Fran�ois d'Assise Curated by ChEMBL					Assay Description Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f...				J Med Chem 60: 4963-4982 (2017) Article DOI: 10.1021/acs.jmedchem.7b00343 BindingDB Entry DOI: 10.7270/Q2JM2CSD
					More data for this Ligand-Target Pair