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SMILES: O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@@H]2CC(=C[C@@H]2C1)c1ccncc1

InChI Key: InChIKey=FQBSCJLINACULR-BOYBGMIOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316925   
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)		BDBM316925
PNG
(US9617262, Compound 41)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1C[C@@H]2CC(=C[C@@H]2C1)c1ccncc1 |r,c:21|
Show InChI InChI=1S/C23H22N4O2/c28-21-3-2-17-9-15(12-25-23(17)26-21)1-4-22(29)27-13-19-10-18(11-20(19)14-27)16-5-7-24-8-6-16/h1,4-10,12,19-20H,2-3,11,13-14H2,(H,25,26,28)/b4-1+/t19-,20+/m1/s1
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.13E+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