null

SMILES: Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1

InChI Key: InChIKey=UQQKVCFHEQIIGA-QGZVFWFLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50504019   

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 (Homo sapiens (Human))	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	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
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	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
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Mus musculus)	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	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
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Mus musculus)	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+3	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
					More data for this Ligand-Target Pair