BindingDB logo
myBDB logout

BDBM50528515 CHEMBL4582507

SMILES: NC(=O)C1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl

InChI Key: InChIKey=JSOMOZXPIOLBHE-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 = 50528515   
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...)		BDBM50528515
PNG
(CHEMBL4582507)
Show SMILES NC(=O)C1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(24.15,-12.57,;24.71,-11.14,;23.75,-9.94,;26.23,-10.91,;27.32,-12.01,;28.7,-11.32,;28.47,-9.79,;26.94,-9.54,;29.57,-8.71,;30.9,-9.48,;32.23,-8.7,;33.57,-9.46,;34.9,-8.69,;36.24,-9.45,;34.89,-7.14,;33.56,-6.38,;32.23,-7.15,;30.9,-6.39,;29.57,-7.16,;28.24,-6.39,;28.24,-4.85,;29.57,-4.08,;26.91,-4.08,;25.57,-4.85,;25.58,-6.4,;26.91,-7.16,;26.96,-8.6,)|
Show InChI InChI=1S/C18H16Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-18(22)25-16(10)24-17(11)26-5-4-9(8-26)15(21)27/h1-3,6-7,9H,4-5,8H2,(H2,21,27)(H2,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/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