BDBM50388143 CHEMBL2058174

SMILES: Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12

InChI Key: InChIKey=YJGXPSISVGOKLP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50388143   

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 (chiA1) (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50388143 (CHEMBL2058174) Show SMILES Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 Show InChI InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aspergillus fumigatus chitinaseA1 using 4-methyumbelliferyl-beta-B-N,N'-triacetylchitotriose as substrate after 10 mins				ACS Med Chem Lett 2: 428-432 (2011) Article DOI: 10.1021/ml200008b BindingDB Entry DOI: 10.7270/Q2RJ4KH7
					More data for this Ligand-Target Pair
Endochitinase B1 (Aspergillus fumigatus)	BDBM50388143 (CHEMBL2058174) Show SMILES Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 Show InChI InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Aspergillus fumigatus ChitinaseB1 expressed in Escherichia coli using 4-methyumbelliferyl-beta-B-N,N'-diacetylchitobiose after 10 mins				ACS Med Chem Lett 2: 428-432 (2011) Article DOI: 10.1021/ml200008b BindingDB Entry DOI: 10.7270/Q2RJ4KH7
					More data for this Ligand-Target Pair				3D Structure (docked)