BDBM50441101 CHEMBL2430571

SMILES: OC(=O)c1ccc2n(Cc3ccc(F)cc3)c(=O)n(Cc3ncccn3)c2c1

InChI Key: InChIKey=MPMHWJBTGSIERQ-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 = 50441101   

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
Porphobilinogen synthase (Homo sapiens (Human))	BDBM50441101 (CHEMBL2430571) Show SMILES OC(=O)c1ccc2n(Cc3ccc(F)cc3)c(=O)n(Cc3ncccn3)c2c1 Show InChI InChI=1S/C20H15FN4O3/c21-15-5-2-13(3-6-15)11-24-16-7-4-14(19(26)27)10-17(16)25(20(24)28)12-18-22-8-1-9-23-18/h1-10H,11-12H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of human ALADH after 20 mins				Bioorg Med Chem Lett 23: 5558-62 (2013) Article DOI: 10.1016/j.bmcl.2013.08.052 BindingDB Entry DOI: 10.7270/Q2FQ9Z2S
					More data for this Ligand-Target Pair