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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sortase family protein' and Ligand = 'BDBM50196061'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sortase family protein


(Staphylococcus aureus)		BDBM50196061
PNG
(CHEMBL3977996)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@@]4([H])C(=O)N4CCC[C@@]4([H])C(=O)N1)cc(CSC[C@H](NC2=O)C(=O)NCC(N)=O)c3 |r|
Show InChI InChI=1S/C61H93N15O16S3/c1-31(2)17-38-53(84)66-37(12-13-48(63)79)52(83)68-39(18-32(3)4)59(90)76-16-8-11-47(76)61(92)75-15-7-10-46(75)58(89)73-44-30-95-27-36-20-34(19-35(21-36)26-94-29-43(55(86)67-38)71-50(81)33(5)62)25-93-28-42(51(82)65-22-49(64)80)72-57(88)45-9-6-14-74(45)60(91)41(24-78)70-54(85)40(23-77)69-56(44)87/h19-21,31-33,37-47,77-78H,6-18,22-30,62H2,1-5H3,(H2,63,79)(H2,64,80)(H,65,82)(H,66,84)(H,67,86)(H,68,83)(H,69,87)(H,70,85)(H,71,81)(H,72,88)(H,73,89)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.16E+4n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...

ACS Med Chem Lett 7: 606-11 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00045
BindingDB Entry DOI: 10.7270/Q24M96G7
More data for this
Ligand-Target Pair