Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Biotin carboxylase' and Ligand = 'BDBM50528516'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528516 (CHEMBL4459017) Show SMILES NCC1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(46.99,-26.96,;47.55,-25.52,;49.07,-25.29,;50.15,-26.39,;51.53,-25.7,;51.3,-24.17,;49.78,-23.92,;52.4,-23.09,;53.74,-23.86,;55.07,-23.08,;56.4,-23.85,;57.74,-23.08,;59.07,-23.84,;57.73,-21.53,;56.39,-20.77,;55.07,-21.54,;53.73,-20.78,;52.4,-21.55,;51.07,-20.78,;51.08,-19.24,;52.41,-18.47,;49.75,-18.47,;48.41,-19.24,;48.42,-20.78,;49.75,-21.55,;49.79,-22.99,)| Show InChI InChI=1S/C18H18Cl2N6/c19-13-2-1-3-14(20)15(13)12-6-11-8-23-18(22)25-16(11)24-17(12)26-5-4-10(7-21)9-26/h1-3,6,8,10H,4-5,7,9,21H2,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair