BDBM10854 4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethanimidoyl)amino]propyl}-18-hydroxy-16-(1H-imidazol-4-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.0^{4,8}]icosan-13-yl]butanoic acid::Argadin::CHEMBL445236

SMILES: CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O

InChI Key: InChIKey=FOZYKTUSOWWQGR-UHFFFAOYSA-N

Data: 1 KI  3 IC50  8 Kd

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 12 hits for monomerid = 10854   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endochitinase B1 (Neosartorya fumigata)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	5.5	37
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Chitotriosidase-1 (Human)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	5.2	37
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Endochitinase B1 (Neosartorya fumigata)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [D175A] (Aspergillus fumigatus)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [Y245F] (Aspergillus fumigatus)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	5.57E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [R301K] (Aspergillus fumigatus)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [A217G] (Aspergillus fumigatus)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [M243A] (Aspergillus fumigatus)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	9.39E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [T138A] (Aspergillus fumigatus)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [E322A] (Aspergillus fumigatus)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a
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Chitinase B (Serratia marcescens)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
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Chitinase B (Serratia marcescens)	BDBM10854 (4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...) Show SMILES Show InChI	GoogleScholar	UniChem		20	-10.9	n/a	n/a	n/a	n/a	n/a	5.5	37
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