BDBM50541929 CHEMBL1738785

SMILES: Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=O)c(=O)c12

InChI Key: InChIKey=PUHJHZQYIBJCSQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50541929   

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 1 (Homo sapiens (Human))	BDBM50541929 (CHEMBL1738785) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=O)c(=O)c12 Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of human CHIT1				ACS Med Chem Lett 11: 1228-1235 (2020)
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (AMCase) (Homo sapiens (Human))	BDBM50541929 (CHEMBL1738785) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=O)c(=O)c12 Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of human acidic mammalian chitinase using 4-methylumbelliferyl-beta-D-N,N',N''-diacetylchitobioside and 4-methylumbelliferyl-beta-D-N,N',N...				ACS Med Chem Lett 11: 1228-1235 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)