BDBM50504016 CHEMBL4537828

SMILES: CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1

InChI Key: InChIKey=CWVKUWZSIMMEOV-IRXDYDNUSA-N

Data: 5 IC50

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 = 50504016   

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 (Mus musculus)	BDBM50504016 (CHEMBL4537828) Show SMILES CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI InChI=1S/C19H27ClN6O/c1-27-17-11-16(10-13-2-4-14(20)5-3-13)26(12-17)15-6-8-25(9-7-15)19-22-18(21)23-24-19/h2-5,15-17H,6-12H2,1H3,(H3,21,22,23,24)/t16-,17-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	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
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50504016 (CHEMBL4537828) Show SMILES CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI InChI=1S/C19H27ClN6O/c1-27-17-11-16(10-13-2-4-14(20)5-3-13)26(12-17)15-6-8-25(9-7-15)19-22-18(21)23-24-19/h2-5,15-17H,6-12H2,1H3,(H3,21,22,23,24)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	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
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50504016 (CHEMBL4537828) Show SMILES CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI InChI=1S/C19H27ClN6O/c1-27-17-11-16(10-13-2-4-14(20)5-3-13)26(12-17)15-6-8-25(9-7-15)19-22-18(21)23-24-19/h2-5,15-17H,6-12H2,1H3,(H3,21,22,23,24)/t16-,17-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+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
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504016 (CHEMBL4537828) Show SMILES CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI InChI=1S/C19H27ClN6O/c1-27-17-11-16(10-13-2-4-14(20)5-3-13)26(12-17)15-6-8-25(9-7-15)19-22-18(21)23-24-19/h2-5,15-17H,6-12H2,1H3,(H3,21,22,23,24)/t16-,17-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	345	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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50504016 (CHEMBL4537828) Show SMILES CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI InChI=1S/C19H27ClN6O/c1-27-17-11-16(10-13-2-4-14(20)5-3-13)26(12-17)15-6-8-25(9-7-15)19-22-18(21)23-24-19/h2-5,15-17H,6-12H2,1H3,(H3,21,22,23,24)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	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