BindingDB logo
myBDB logout

BDBM50124802 2-(3-(6,8-dibromo-3,4-dihydro-2H-chromen-4-ylamino)propylamino)quinolin-4(1H)-one::2-[3-(6,8-Dibromo-chroman-4-ylamino)-propylamino]-1H-quinolin-4-one::CHEMBL157867

SMILES: Oc1cc(NCCCNC2CCOc3c(Br)cc(Br)cc23)nc2ccccc12

InChI Key: InChIKey=NTPXQYNTBSMLKA-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 = 50124802   
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
Methionyl-tRNA synthetase


(Escherichia coli (strain K12))		BDBM50124802
PNG
(2-(3-(6,8-dibromo-3,4-dihydro-2H-chromen-4-ylamino...)
Show SMILES Oc1cc(NCCCNC2CCOc3c(Br)cc(Br)cc23)nc2ccccc12
Show InChI InChI=1S/C21H21Br2N3O2/c22-13-10-15-17(6-9-28-21(15)16(23)11-13)24-7-3-8-25-20-12-19(27)14-4-1-2-5-18(14)26-20/h1-2,4-5,10-12,17,24H,3,6-9H2,(H2,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay

Bioorg Med Chem Lett 13: 665-8 (2003)


BindingDB Entry DOI: 10.7270/Q2KP81JD
More data for this
Ligand-Target Pair