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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 = 'BDBM50196038'   
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)		BDBM50196038
PNG
(CHEMBL3940372)
Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSCc(c1)c3)NC2=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)CC |r|
Show InChI InChI=1S/C68H106N22O18S3/c1-6-36(4)57-65(106)85-43(18-35(2)3)66(107)90-17-9-12-48(90)67(108)89-16-8-11-47(89)64(105)87-45-33-110-30-39-19-38(20-40(21-39)31-111-34-46(86-58(99)37(5)69)63(104)84-42(13-14-49(70)91)60(101)80-28-56(98)88-57)29-109-32-44(61(102)78-22-50(71)92)83-54(96)26-77-52(94)24-75-51(93)23-76-53(95)25-79-59(100)41(10-7-15-74-68(72)73)82-55(97)27-81-62(45)103/h19-21,35-37,41-48,57H,6-18,22-34,69H2,1-5H3,(H2,70,91)(H2,71,92)(H,75,93)(H,76,95)(H,77,94)(H,78,102)(H,79,100)(H,80,101)(H,81,103)(H,82,97)(H,83,96)(H,84,104)(H,85,106)(H,86,99)(H,87,105)(H,88,98)(H4,72,73,74)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,57-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
 4.20E+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