BDBM50454516 CHEMBL4203465

SMILES: OC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3cc(Cl)ccc3C2=O)cc1

InChI Key: InChIKey=UHFZARZDGRCQAL-JOCHJYFZSA-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 = 50454516   

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
Toxin B (Peptoclostridium difficile)	BDBM50454516 (CHEMBL4203465) Show SMILES OC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3cc(Cl)ccc3C2=O)cc1 |r| Show InChI InChI=1S/C25H21ClN2O4/c26-19-11-12-20-21(14-19)27-23(29)22(13-8-16-4-2-1-3-5-16)28(24(20)30)15-17-6-9-18(10-7-17)25(31)32/h1-7,9-12,14,22H,8,13,15H2,(H,27,29)(H,31,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Biotechnology Group Curated by ChEMBL					Assay Description Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B catalytic fragment (Met1 to Leu543 residues) assessed as reduction in...				Bioorg Med Chem Lett 28: 756-761 (2018) Article DOI: 10.1016/j.bmcl.2018.01.005 BindingDB Entry DOI: 10.7270/Q2QR50RG
					More data for this Ligand-Target Pair