BDBM50454535 CHEMBL4205987

SMILES: CC(C)C[C@H]1N(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Cl)cc2NC1=O

InChI Key: InChIKey=BSEDUPUIJSQEOK-GOSISDBHSA-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 = 50454535   

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)	BDBM50454535 (CHEMBL4205987) Show SMILES CC(C)C[C@H]1N(Cc2ccc(cc2)C(O)=O)C(=O)c2ccc(Cl)cc2NC1=O |r| Show InChI InChI=1S/C21H21ClN2O4/c1-12(2)9-18-19(25)23-17-10-15(22)7-8-16(17)20(26)24(18)11-13-3-5-14(6-4-13)21(27)28/h3-8,10,12,18H,9,11H2,1-2H3,(H,23,25)(H,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+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