Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sortase family protein' and Ligand = 'BDBM50196053'   

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)	BDBM50196053 (CHEMBL3940052) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@]([H])(CSCc(c1)c3)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC2=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C61H90N14O17S3/c1-30(2)16-37-53(84)69-40(17-31(3)4)59(90)75-15-9-12-46(75)61(92)74-14-8-11-45(74)58(89)71-42-28-94-25-35-18-34(19-36(20-35)26-95-29-43(72-50(81)32(5)62)60(91)73-13-7-10-44(73)57(88)68-37)24-93-27-41(52(83)64-23-47(63)76)70-55(86)39(22-49(79)80)67-54(85)38(21-48(77)78)66-51(82)33(6)65-56(42)87/h18-20,30-33,37-46H,7-17,21-29,62H2,1-6H3,(H2,63,76)(H,64,83)(H,65,87)(H,66,82)(H,67,85)(H,68,88)(H,69,84)(H,70,86)(H,71,89)(H,72,81)(H,77,78)(H,79,80)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.00E+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
					More data for this Ligand-Target Pair