Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Biotin carboxylase' and Ligand = 'BDBM50528522'   

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...)	BDBM50528522 (CHEMBL4563086) Show SMILES NCC1(O)CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(26.75,-27.06,;27.31,-25.63,;28.83,-25.4,;28.05,-24.05,;29.91,-26.49,;31.29,-25.8,;31.06,-24.28,;29.54,-24.03,;32.16,-23.19,;33.49,-23.96,;34.83,-23.19,;36.16,-23.95,;37.49,-23.18,;38.83,-23.94,;37.48,-21.63,;36.15,-20.87,;34.82,-21.64,;33.49,-20.88,;32.16,-21.65,;30.83,-20.88,;30.84,-19.34,;32.17,-18.57,;29.5,-18.57,;28.17,-19.34,;28.18,-20.89,;29.51,-21.65,;29.55,-23.09,)| Show InChI InChI=1S/C18H18Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-17(22)25-15(10)24-16(11)26-5-4-18(27,8-21)9-26/h1-3,6-7,27H,4-5,8-9,21H2,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	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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