BDBM50257293 CHEMBL492714::N-Ac-Asp-D-Ala-Arg{N-omega-(N-methylcarbanoyl)}-OH

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

InChI Key: InChIKey=ABYZFXCZXNIHDL-MIMYLULJSA-N

Data: 3 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 3 hits for monomerid = 50257293   

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 A (Serratia marcescens)	BDBM50257293 (CHEMBL492714 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methy...) Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(O)=O |r,w:7.7| Show InChI InChI=1S/C17H29N7O8/c1-8(21-14(29)11(7-12(26)27)22-9(2)25)13(28)23-10(15(30)31)5-4-6-20-16(18)24-17(32)19-3/h8,10-11H,4-7H2,1-3H3,(H,21,29)(H,22,25)(H,23,28)(H,26,27)(H,30,31)(H4,18,19,20,24,32)/t8-,10+,11+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA				Bioorg Med Chem 17: 2751-8 (2009) Article DOI: 10.1016/j.bmc.2009.02.047 BindingDB Entry DOI: 10.7270/Q2PR7VVM
					More data for this Ligand-Target Pair
Chitinase C1 (Serratia marcescens)	BDBM50257293 (CHEMBL492714 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methy...) Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(O)=O |r,w:7.7| Show InChI InChI=1S/C17H29N7O8/c1-8(21-14(29)11(7-12(26)27)22-9(2)25)13(28)23-10(15(30)31)5-4-6-20-16(18)24-17(32)19-3/h8,10-11H,4-7H2,1-3H3,(H,21,29)(H,22,25)(H,23,28)(H,26,27)(H,30,31)(H4,18,19,20,24,32)/t8-,10+,11+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC				Bioorg Med Chem 17: 2751-8 (2009) Article DOI: 10.1016/j.bmc.2009.02.047 BindingDB Entry DOI: 10.7270/Q2PR7VVM
					More data for this Ligand-Target Pair
Chitinase B (Serratia marcescens)	BDBM50257293 (CHEMBL492714 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methy...) Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(O)=O |r,w:7.7| Show InChI InChI=1S/C17H29N7O8/c1-8(21-14(29)11(7-12(26)27)22-9(2)25)13(28)23-10(15(30)31)5-4-6-20-16(18)24-17(32)19-3/h8,10-11H,4-7H2,1-3H3,(H,21,29)(H,22,25)(H,23,28)(H,26,27)(H,30,31)(H4,18,19,20,24,32)/t8-,10+,11+/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	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiB				Bioorg Med Chem 17: 2751-8 (2009) Article DOI: 10.1016/j.bmc.2009.02.047 BindingDB Entry DOI: 10.7270/Q2PR7VVM
					More data for this Ligand-Target Pair