BDBM50315536 CHEMBL512683::chetoseminudin B

SMILES: CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@](CO)(SC)N(C)C1=O

InChI Key: InChIKey=CCPHAMSKHBDMDS-IRXDYDNUSA-N

Data: 1 IC50

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 = 50315536   

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
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis)	BDBM50315536 (CHEMBL512683 | chetoseminudin B) Show SMILES CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@](CO)(SC)N(C)C1=O |r| Show InChI InChI=1S/C17H21N3O3S2/c1-20-15(23)16(24-2,19-14(22)17(20,10-21)25-3)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9,18,21H,8,10H2,1-3H3,(H,19,22)/t16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Santa Cruz Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis mycothiol-S-conjugate amidase				Bioorg Med Chem 18: 2566-74 (2010) Article DOI: 10.1016/j.bmc.2010.02.034 BindingDB Entry DOI: 10.7270/Q22J6C0K
					More data for this Ligand-Target Pair