BDBM50028481 CHEMBL3342325

SMILES: [H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@]1([H])CCCN1C(=O)[C@H](COC2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C

InChI Key: InChIKey=UMDXSUFDIAGURI-YTFXDNJKSA-N

Data: 1 Kd

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 = 50028481   

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
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50028481 (CHEMBL3342325) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@]1([H])CCCN1C(=O)[C@H](COC2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C |r| Show InChI InChI=1S/C37H48N6O8/c1-5-6-7-8-12-19-31(44)39-27(22-26-15-10-9-11-16-26)33(46)40-28-23-51-37(50)30-18-14-21-43(30)34(47)24(2)38-32(45)25(3)41(4)36(49)29-17-13-20-42(29)35(28)48/h5-12,15-16,19,24-25,27-30H,13-14,17-18,20-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/b6-5+,8-7+,19-12+/t24-,25-,27-,28-,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Activation of Escherichia coli ClpP by ITC method				J Nat Prod 77: 2170-81 (2014) Article DOI: 10.1021/np500158q BindingDB Entry DOI: 10.7270/Q22R3T71
					More data for this Ligand-Target Pair