BDBM81508 Bisdionin C

SMILES: Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12

InChI Key: InChIKey=KEPIKAFUZRKZMT-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 81508   

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
Acidic mammalian chitinase (AMCase) (Homo sapiens (Human))	BDBM81508 (Bisdionin C) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	5.2	37
University of Edinburgh					Assay Description Chitnase inhibition by bisdionin compounds.				Chem Biol 18: 569-79 (2011) Article DOI: 10.1016/j.chembiol.2011.02.017 BindingDB Entry DOI: 10.7270/Q28W3BSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chitinase (Homo sapiens (Human))	BDBM81508 (Bisdionin C) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	5.2	37
University of Edinburgh					Assay Description Chitnase inhibition by bisdionin compounds.				Chem Biol 18: 569-79 (2011) Article DOI: 10.1016/j.chembiol.2011.02.017 BindingDB Entry DOI: 10.7270/Q28W3BSN
					More data for this Ligand-Target Pair
Chitinase (chiA1) (Neosartorya fumigata (Aspergillus fumigatus))	BDBM81508 (Bisdionin C) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	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
Acidic mammalian chitinase (Mus musculus)	BDBM81508 (Bisdionin C) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AMCase in BALB/c mouse lung homogenate 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
Endochitinase B1 (Aspergillus fumigatus)	BDBM81508 (Bisdionin C) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	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