BDBM50356591 CHEMBL1910117

SMILES: CN(C)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O

InChI Key: InChIKey=QTCAWQMHWREMFJ-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50356591   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50356591 (CHEMBL1910117) Show SMILES CN(C)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(23.14,-19.79,;23.91,-21.12,;23.14,-22.45,;25.45,-21.12,;26.22,-22.45,;26.22,-19.78,;27.75,-19.78,;28.65,-21.03,;30.12,-20.55,;30.12,-19.01,;31.45,-18.24,;32.78,-19,;34.12,-18.23,;32.79,-20.55,;34.13,-21.32,;35.46,-20.55,;31.45,-21.32,;31.46,-22.86,;30.12,-23.63,;30.12,-25.17,;31.45,-25.94,;31.45,-27.48,;32.79,-25.16,;32.79,-23.62,;34.12,-22.85,;28.66,-18.54,;28.18,-17.07,)| Show InChI InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-15(12)21)14-8-25(9-16(26)24(2)3)19(27)18(14)23-10/h4-6H,7-9,22H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 21: 6646-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50356591 (CHEMBL1910117) Show SMILES CN(C)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(23.14,-19.79,;23.91,-21.12,;23.14,-22.45,;25.45,-21.12,;26.22,-22.45,;26.22,-19.78,;27.75,-19.78,;28.65,-21.03,;30.12,-20.55,;30.12,-19.01,;31.45,-18.24,;32.78,-19,;34.12,-18.23,;32.79,-20.55,;34.13,-21.32,;35.46,-20.55,;31.45,-21.32,;31.46,-22.86,;30.12,-23.63,;30.12,-25.17,;31.45,-25.94,;31.45,-27.48,;32.79,-25.16,;32.79,-23.62,;34.12,-22.85,;28.66,-18.54,;28.18,-17.07,)| Show InChI InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-15(12)21)14-8-25(9-16(26)24(2)3)19(27)18(14)23-10/h4-6H,7-9,22H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 21: 6646-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50356591 (CHEMBL1910117) Show SMILES CN(C)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(23.14,-19.79,;23.91,-21.12,;23.14,-22.45,;25.45,-21.12,;26.22,-22.45,;26.22,-19.78,;27.75,-19.78,;28.65,-21.03,;30.12,-20.55,;30.12,-19.01,;31.45,-18.24,;32.78,-19,;34.12,-18.23,;32.79,-20.55,;34.13,-21.32,;35.46,-20.55,;31.45,-21.32,;31.46,-22.86,;30.12,-23.63,;30.12,-25.17,;31.45,-25.94,;31.45,-27.48,;32.79,-25.16,;32.79,-23.62,;34.12,-22.85,;28.66,-18.54,;28.18,-17.07,)| Show InChI InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-15(12)21)14-8-25(9-16(26)24(2)3)19(27)18(14)23-10/h4-6H,7-9,22H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 21: 6646-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50356591 (CHEMBL1910117) Show SMILES CN(C)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(23.14,-19.79,;23.91,-21.12,;23.14,-22.45,;25.45,-21.12,;26.22,-22.45,;26.22,-19.78,;27.75,-19.78,;28.65,-21.03,;30.12,-20.55,;30.12,-19.01,;31.45,-18.24,;32.78,-19,;34.12,-18.23,;32.79,-20.55,;34.13,-21.32,;35.46,-20.55,;31.45,-21.32,;31.46,-22.86,;30.12,-23.63,;30.12,-25.17,;31.45,-25.94,;31.45,-27.48,;32.79,-25.16,;32.79,-23.62,;34.12,-22.85,;28.66,-18.54,;28.18,-17.07,)| Show InChI InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-15(12)21)14-8-25(9-16(26)24(2)3)19(27)18(14)23-10/h4-6H,7-9,22H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 up to 40 uM				Bioorg Med Chem Lett 21: 6646-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.074 BindingDB Entry DOI: 10.7270/Q28W3DQK
					More data for this Ligand-Target Pair