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BDBM50528519 CHEMBL4530311

SMILES: Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1-c1cccnc1

InChI Key: InChIKey=XATKDWNHLXUCPF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528519   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)		BDBM50528519
PNG
(CHEMBL4530311)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1-c1cccnc1 |(16.78,-11.99,;15.44,-11.22,;15.43,-9.67,;14.1,-8.91,;12.77,-9.69,;11.43,-8.92,;10.1,-9.69,;10.1,-11.24,;8.76,-12.23,;11.44,-12.01,;12.77,-11.23,;14.11,-12,;8.77,-8.92,;7.44,-9.69,;7.45,-11.23,;6.11,-8.93,;6.1,-7.38,;7.44,-6.61,;8.77,-7.38,;10.1,-6.61,;10.1,-5.08,;11.43,-4.3,;12.77,-5.07,;12.77,-6.62,;11.43,-7.39,)|
Show InChI InChI=1S/C18H13ClN6/c19-14-5-1-4-12(10-3-2-6-22-8-10)15(14)13-7-11-9-23-18(21)25-17(11)24-16(13)20/h1-9H,(H4,20,21,23,24,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/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
More data for this
Ligand-Target Pair