Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sortase family protein' and Ligand = 'BDBM50196058'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sortase family protein (Staphylococcus aureus)	BDBM50196058 (CHEMBL3900056) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCc1cccc(CSC[C@]([H])(NC2=O)C(=O)NCC(N)=O)c1)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C45H67N11O10S2/c1-25(2)18-30-43(64)56-17-7-12-35(56)45(66)55-16-6-11-34(55)42(63)52-31(39(60)49-20-37(48)58)23-67-21-27-8-4-9-28(19-27)22-68-24-32(53-38(59)26(3)46)44(65)54-15-5-10-33(54)41(62)50-29(40(61)51-30)13-14-36(47)57/h4,8-9,19,25-26,29-35H,5-7,10-18,20-24,46H2,1-3H3,(H2,47,57)(H2,48,58)(H,49,60)(H,50,62)(H,51,61)(H,52,63)(H,53,59)/t26-,29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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