Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chitotriosidase-1' and Ligand = 'BDBM50243796'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50243796 (CHEMBL4103842) Show SMILES CCc1ccc(CCN(C)C2CCN(CC2)c2nc(N)n[nH]2)cc1 Show InChI InChI=1S/C18H28N6/c1-3-14-4-6-15(7-5-14)8-11-23(2)16-9-12-24(13-10-16)18-20-17(19)21-22-18/h4-7,16H,3,8-13H2,1-2H3,(H3,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...				J Med Chem 61: 695-710 (2018) Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50243796 (CHEMBL4103842) Show SMILES CCc1ccc(CCN(C)C2CCN(CC2)c2nc(N)n[nH]2)cc1 Show InChI InChI=1S/C18H28N6/c1-3-14-4-6-15(7-5-14)8-11-23(2)16-9-12-24(13-10-16)18-20-17(19)21-22-18/h4-7,16H,3,8-13H2,1-2H3,(H3,19,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...				J Med Chem 61: 695-710 (2018) Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5
					More data for this Ligand-Target Pair