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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 = 'BDBM50196055'   
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)		BDBM50196055
PNG
(CHEMBL3932742)
Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]4([H])CCCN4C(=O)[C@@]([H])(NC(=O)[C@H](CSCc(c1)c3)NC2=O)[C@@H](C)O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C67H102N16O19S3/c1-32(2)19-41-58(93)75-43(20-33(3)4)65(100)83-18-10-13-49(83)66(101)81-16-8-11-47(81)63(98)78-46-31-105-28-39-22-37(21-38(23-39)27-104-30-45(76-55(90)34(5)68)60(95)79-53(35(6)84)64(99)74-41)26-103-29-44(56(91)71-25-51(70)87)77-57(92)40(14-15-50(69)86)72-59(94)42(24-52(88)89)73-62(97)48-12-9-17-82(48)67(102)54(36(7)85)80-61(46)96/h21-23,32-36,40-49,53-54,84-85H,8-20,24-31,68H2,1-7H3,(H2,69,86)(H2,70,87)(H,71,91)(H,72,94)(H,73,97)(H,74,99)(H,75,93)(H,76,90)(H,77,92)(H,78,98)(H,79,95)(H,80,96)(H,88,89)/t34-,35+,36+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Similars
Article
PubMed
 3.21E+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