BDBM50257242 CHEMBL454279::N-Ac-Asp-D-Ala-Arg{N-omega-(N-methylcarbanoyl)}-N-methyl-Phe-Asp(OAllyl)-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)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O

InChI Key: InChIKey=DEFUEKKIKFDTMP-DKEXWMQESA-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 = 50257242   

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)	BDBM50257242 (CHEMBL454279 | 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)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O |r,w:7.7| Show InChI InChI=1S/C34H49N9O12/c1-6-15-55-27(47)18-24(32(52)53)41-30(50)25(16-21-11-8-7-9-12-21)43(5)31(51)22(13-10-14-37-33(35)42-34(54)36-4)40-28(48)19(2)38-29(49)23(17-26(45)46)39-20(3)44/h6-9,11-12,19,22-25H,1,10,13-18H2,2-5H3,(H,38,49)(H,39,44)(H,40,48)(H,41,50)(H,45,46)(H,52,53)(H4,35,36,37,42,54)/t19-,22+,23+,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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)	BDBM50257242 (CHEMBL454279 | 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)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O |r,w:7.7| Show InChI InChI=1S/C34H49N9O12/c1-6-15-55-27(47)18-24(32(52)53)41-30(50)25(16-21-11-8-7-9-12-21)43(5)31(51)22(13-10-14-37-33(35)42-34(54)36-4)40-28(48)19(2)38-29(49)23(17-26(45)46)39-20(3)44/h6-9,11-12,19,22-25H,1,10,13-18H2,2-5H3,(H,38,49)(H,39,44)(H,40,48)(H,41,50)(H,45,46)(H,52,53)(H4,35,36,37,42,54)/t19-,22+,23+,24+,25+/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)	BDBM50257242 (CHEMBL454279 | 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)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O |r,w:7.7| Show InChI InChI=1S/C34H49N9O12/c1-6-15-55-27(47)18-24(32(52)53)41-30(50)25(16-21-11-8-7-9-12-21)43(5)31(51)22(13-10-14-37-33(35)42-34(54)36-4)40-28(48)19(2)38-29(49)23(17-26(45)46)39-20(3)44/h6-9,11-12,19,22-25H,1,10,13-18H2,2-5H3,(H,38,49)(H,39,44)(H,40,48)(H,41,50)(H,45,46)(H,52,53)(H4,35,36,37,42,54)/t19-,22+,23+,24+,25+/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	1.00E+3	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