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SMILES: Cc1noc(C)c1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

InChI Key: InChIKey=DTWRNLGLZPHSER-ZZXKWVIFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316910   
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
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM316910
PNG
(US9617262, Compound 25)
Show SMILES Cc1noc(C)c1C1=CC2CN(CC2C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 |t:8|
Show InChI InChI=1S/C23H24N4O3/c1-13-22(14(2)30-26-13)17-8-18-11-27(12-19(18)9-17)21(29)6-3-15-7-16-4-5-20(28)25-23(16)24-10-15/h3,6-8,10,18-19H,4-5,9,11-12H2,1-2H3,(H,24,25,28)/b6-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.26E+3n/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...

US Patent US9617262 (2017)


BindingDB Entry DOI: 10.7270/Q21C1ZZ7
More data for this
Ligand-Target Pair