BindingDB logo
myBDB logout

null

SMILES: [H][C@@]1(CCN(C1)c1c(F)cc2c(c1C(F)(F)F)n(cc(C(O)=O)c2=O)C1CC1)[C@@H](C)NCC

InChI Key: InChIKey=KRRFNOYEJSQDRL-NEPJUHHUSA-N

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 = 50469855   
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
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50469855
PNG
(CHEMBL2110328)
Show SMILES [H][C@@]1(CCN(C1)c1c(F)cc2c(c1C(F)(F)F)n(cc(C(O)=O)c2=O)C1CC1)[C@@H](C)NCC |r|
Show InChI InChI=1S/C22H25F4N3O3/c1-3-27-11(2)12-6-7-28(9-12)19-16(23)8-14-18(17(19)22(24,25)26)29(13-4-5-13)10-15(20(14)30)21(31)32/h8,10-13,27H,3-7,9H2,1-2H3,(H,31,32)/t11-,12+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.93E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition against DNA gyrase

J Med Chem 36: 871-82 (1993)


Article DOI: 10.1021/jm00059a012
BindingDB Entry DOI: 10.7270/Q22R3VDP
More data for this
Ligand-Target Pair