BDBM50507600 CHEMBL4467401

SMILES: COc1ccc2c3oc(cc(=O)c3cc(OC)c2c1OC)-c1ccc(F)cc1

InChI Key: InChIKey=UELQOSZTECYCPD-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 = 50507600   

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 1A1 (Homo sapiens (Human))	BDBM50507600 (CHEMBL4467401) Show SMILES COc1ccc2c3oc(cc(=O)c3cc(OC)c2c1OC)-c1ccc(F)cc1 Show InChI InChI=1S/C22H17FO5/c1-25-17-9-8-14-20(22(17)27-3)19(26-2)10-15-16(24)11-18(28-21(14)15)12-4-6-13(23)7-5-12/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human CYP1A1 by EROD assay				Eur J Med Chem 163: 28-36 (2019) Article DOI: 10.1016/j.ejmech.2018.11.039
					More data for this Ligand-Target Pair