BDBM50089854 CHEMBL3577613

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)NCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C

InChI Key: InChIKey=JOZAFQGHDJWXPP-JHFAIPRISA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089854   

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)	BDBM50089854 (CHEMBL3577613) 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)NCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11| Show InChI InChI=1S/C36H63N5O9/c1-13-19-46-29-23(5)27(48-33(44)40-18-16-15-17-39-31(37)41-32(43)38-12)24(6)30(42)47-25(14-2)34(7,8)28-22(4)26(49-35(9,10)50-28)21(3)20-36(29,11)45/h1,21-29,45H,14-20H2,2-12H3,(H,40,44)(H4,37,38,39,41,43)/t21-,22+,23+,24-,25-,26+,27+,28-,29-,36-/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	217	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