null

SMILES: CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1

InChI Key: InChIKey=QCZIDGUQJGTHHZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50504021   

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
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50504021 (CHEMBL4453964) Show SMILES CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C18H28ClN7O2S/c1-21-29(27,28)13-12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-26(11-8-16)18-22-17(20)23-24-18/h2-5,16,21H,6-13H2,1H3,(H3,20,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Mus musculus)	BDBM50504021 (CHEMBL4453964) Show SMILES CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C18H28ClN7O2S/c1-21-29(27,28)13-12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-26(11-8-16)18-22-17(20)23-24-18/h2-5,16,21H,6-13H2,1H3,(H3,20,22,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic acti...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50504021 (CHEMBL4453964) Show SMILES CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C18H28ClN7O2S/c1-21-29(27,28)13-12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-26(11-8-16)18-22-17(20)23-24-18/h2-5,16,21H,6-13H2,1H3,(H3,20,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitinolytic activ...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50504021 (CHEMBL4453964) Show SMILES CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C18H28ClN7O2S/c1-21-29(27,28)13-12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-26(11-8-16)18-22-17(20)23-24-18/h2-5,16,21H,6-13H2,1H3,(H3,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG by fluorescence polarization assay				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504021 (CHEMBL4453964) Show SMILES CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C18H28ClN7O2S/c1-21-29(27,28)13-12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-26(11-8-16)18-22-17(20)23-24-18/h2-5,16,21H,6-13H2,1H3,(H3,20,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair