BDBM10853 (2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid::Argifin

SMILES: CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](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)=O

InChI Key: InChIKey=UHBHXSDKGLPPGO-UHFFFAOYSA-N

Data: 1 KI  5 IC50  7 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 13 hits for monomerid = 10853   

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)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	5.5	37
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Chitotriosidase-1 (Human)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	5.2	37
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Endochitinase B1 (Neosartorya fumigata)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [D175A] (Aspergillus fumigatus)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.81E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [R301K] (Aspergillus fumigatus)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [A217G] (Aspergillus fumigatus)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [M243A] (Aspergillus fumigatus)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [T138A] (Aspergillus fumigatus)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 [E322A] (Aspergillus fumigatus)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a
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Endochitinase B1 (Neosartorya fumigata)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	5.5	n/a
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Chitotriosidase-1 (Human)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	5.5	n/a
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Endochitinase A1 (Neosartorya fumigata)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.80E+6	n/a	n/a	n/a	n/a	5.5	37
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Chitinase B (Serratia marcescens)	BDBM10853 ((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...) Show SMILES Show InChI	GoogleScholar	UniChem		3.30E+4	-6.36	n/a	n/a	n/a	n/a	n/a	5.5	37
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