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BDBM50221494 CHEMBL95924

SMILES: [H][C@@]1(O[C@H]([C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O

InChI Key: InChIKey=LCPRJIJBOFYOJX-WHOQNIACSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50221494   
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
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))		BDBM50221494
PNG
(CHEMBL95924)
Show SMILES [H][C@@]1(O[C@H]([C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O |c:42|
Show InChI InChI=1S/C42H67N5O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(50)58-36-33(56-3)34(59-40(36)47-24-23-30(49)46-42(47)55)35(37(43)52)60-41-32(51)28(48)25-29(57-41)39(54)45-27-21-19-20-26(2)44-38(27)53/h23-28,32-36,40-41,48,51H,4-22H2,1-3H3,(H2,43,52)(H,44,53)(H,45,54)(H,46,49,55)/t26-,27+,28+,32+,33-,34+,35-,36-,40-,41-/m1/s1
KEGG

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PC cid
PC sid
UniChem

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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Translocase I

Bioorg Med Chem Lett 13: 2833-6 (2003)


BindingDB Entry DOI: 10.7270/Q2VX0JP8
More data for this
Ligand-Target Pair