BDBM50294763 (2R,5S,8S,11S,15S)-8-benzyl-15-(4-benzylpiperidine-1-carbonyl)-5-(3-(iminio(3-methylureido)methylamino)propyl)-2-isobutyl-7-methyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11-carboxylate::CHEMBL555042

SMILES: CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(=O)N1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=HZUJMSCCRVBNCT-XJZSZEIDSA-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 = 50294763   

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
Chitinase B (Serratia marcescens)	BDBM50294763 ((2R,5S,8S,11S,15S)-8-benzyl-15-(4-benzylpiperidine...) Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(=O)N1CCC(Cc2ccccc2)CC1 |r,w:7.7| Show InChI InChI=1S/C44H62N10O9/c1-27(2)22-32-38(57)50-31(16-11-19-47-43(45)52-44(63)46-3)40(59)53(4)35(24-29-14-9-6-10-15-29)39(58)51-34(42(61)62)26-37(56)49-33(25-36(55)48-32)41(60)54-20-17-30(18-21-54)23-28-12-7-5-8-13-28/h5-10,12-15,27,30-35H,11,16-26H2,1-4H3,(H,48,55)(H,49,56)(H,50,57)(H,51,58)(H,61,62)(H4,45,46,47,52,63)/t31-,32+,33-,34-,35-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of Serratia marcescens chitinase B				Bioorg Med Chem Lett 19: 2630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.013 BindingDB Entry DOI: 10.7270/Q2PG1RSF
					More data for this Ligand-Target Pair