BDBM50089846 CHEMBL3577621

SMILES: [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C

InChI Key: InChIKey=NZJDDHQESKUPPX-DMINKHJWSA-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 = 50089846   

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)	BDBM50089846 (CHEMBL3577621) Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11| Show InChI InChI=1S/C37H65N5O9/c1-13-20-47-30-24(5)28(49-34(45)41-19-17-15-16-18-40-32(38)42-33(44)39-12)25(6)31(43)48-26(14-2)35(7,8)29-23(4)27(50-36(9,10)51-29)22(3)21-37(30,11)46/h1,22-30,46H,14-21H2,2-12H3,(H,41,45)(H4,38,39,40,42,44)/t22-,23+,24+,25-,26-,27+,28+,29-,30-,37-/m1/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	374	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...				J Med Chem 58: 4984-97 (2015) Article DOI: 10.1021/acs.jmedchem.5b00175 BindingDB Entry DOI: 10.7270/Q2VT1TV5
					More data for this Ligand-Target Pair