Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Biotin carboxylase' and Ligand = 'BDBM50528521'   

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...)	BDBM50528521 (CHEMBL4520904) Show SMILES NCC1(F)CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(5.94,-28.39,;6.5,-26.95,;8.03,-26.72,;7.24,-25.38,;9.11,-27.82,;10.49,-27.13,;10.26,-25.61,;8.74,-25.35,;11.36,-24.52,;12.69,-25.29,;14.02,-24.51,;15.36,-25.28,;16.69,-24.51,;18.03,-25.27,;16.68,-22.96,;15.35,-22.2,;14.02,-22.97,;12.69,-22.21,;11.36,-22.98,;10.03,-22.21,;10.03,-20.67,;11.37,-19.9,;8.7,-19.9,;7.37,-20.67,;7.37,-22.22,;8.7,-22.98,;8.75,-24.42,)| Show InChI InChI=1S/C18H17Cl2FN6/c19-12-2-1-3-13(20)14(12)11-6-10-7-24-17(23)26-15(10)25-16(11)27-5-4-18(21,8-22)9-27/h1-3,6-7H,4-5,8-9,22H2,(H2,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	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
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