BDBM50212217 CHEMBL3917640

SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(COc4ccccc4N4CCN(CC4)C(=O)c4cc5CS(=O)(=O)c6ccccc6-c5s4)nn3)[C@@]1([H])NC(=O)N2

InChI Key: InChIKey=XQQSPSRXDZJHHI-HLSLCHRCSA-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 = 50212217   

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
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM50212217 (CHEMBL3917640) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(COc4ccccc4N4CCN(CC4)C(=O)c4cc5CS(=O)(=O)c6ccccc6-c5s4)nn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C43H54N8O9S3/c52-39(12-6-4-10-36-40-33(28-61-36)45-43(54)46-40)44-13-19-57-21-23-59-24-22-58-20-18-51-26-31(47-48-51)27-60-35-9-3-2-8-34(35)49-14-16-50(17-15-49)42(53)37-25-30-29-63(55,56)38-11-5-1-7-32(38)41(30)62-37/h1-3,5,7-9,11,25-26,33,36,40H,4,6,10,12-24,27-29H2,(H,44,52)(H2,45,46,54)/t33-,36-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by substrat...				ACS Med Chem Lett 8: 215-220 (2017) Article DOI: 10.1021/acsmedchemlett.6b00441 BindingDB Entry DOI: 10.7270/Q2V98B7S
					More data for this Ligand-Target Pair