BDBM50195940 CHEMBL3969617

SMILES: [H][C@@]12CCCN1C(=O)[C@H](CSCc1cc3CSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSCc(c3)c1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC2=O)C(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](C)N

InChI Key: InChIKey=AREDASPITDNTEJ-CJUNNKGMSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50195940   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50195940 (CHEMBL3969617) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CSCc1cc3CSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSCc(c3)c1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC2=O)C(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C63H98N18O15S3/c1-32(2)20-40-60(94)81-19-9-13-47(81)62(96)80-18-8-12-46(80)58(92)76-43-30-98-27-36-21-35(22-37(23-36)28-99-31-44(77-51(85)34(5)64)61(95)79-17-7-11-45(79)57(91)72-39(53(87)73-40)14-15-48(65)83)26-97-29-42(52(86)70-24-49(66)84)75-55(89)41(25-82)74-59(93)50(33(3)4)78-54(88)38(71-56(43)90)10-6-16-69-63(67)68/h21-23,32-34,38-47,50,82H,6-20,24-31,64H2,1-5H3,(H2,65,83)(H2,66,84)(H,70,86)(H,71,90)(H,72,91)(H,73,87)(H,74,93)(H,75,89)(H,76,92)(H,77,85)(H,78,88)(H4,67,68,69)/t34-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47-,50-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.30E+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