BDBM50221975 (2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexyl)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxobutanamide::CHEMBL237783

SMILES: CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12

InChI Key: InChIKey=BGSCYJBANJLMBU-QXGSTGNESA-N

Data: 4 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 = 50221975   

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 9 (Homo sapiens (Human))	BDBM50221975 ((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,20.24,wD:5.4,(-.49,-9.42,;-.48,-10.96,;-1.82,-11.73,;.85,-11.72,;2.18,-10.95,;.86,-13.26,;2.19,-14.03,;2.2,-15.57,;3.53,-13.25,;3.52,-11.71,;4.86,-14.02,;6.27,-13.39,;7.31,-14.53,;6.54,-15.86,;6.13,-17.34,;8.06,-16.09,;5.03,-15.55,;-.47,-14.04,;-.47,-15.59,;-1.81,-16.36,;-3.14,-15.59,;-3.14,-14.05,;-1.81,-13.28,;-4.47,-16.36,;-5.8,-15.59,;-7.14,-16.35,;-7.14,-17.9,;-5.79,-18.67,;-5.46,-20.18,;-3.93,-20.32,;-3.32,-18.91,;-4.47,-17.89,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP9				Bioorg Med Chem Lett 17: 5806-11 (2007) Article DOI: 10.1016/j.bmcl.2007.08.049 BindingDB Entry DOI: 10.7270/Q2251HXN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221975 ((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,20.24,wD:5.4,(-.49,-9.42,;-.48,-10.96,;-1.82,-11.73,;.85,-11.72,;2.18,-10.95,;.86,-13.26,;2.19,-14.03,;2.2,-15.57,;3.53,-13.25,;3.52,-11.71,;4.86,-14.02,;6.27,-13.39,;7.31,-14.53,;6.54,-15.86,;6.13,-17.34,;8.06,-16.09,;5.03,-15.55,;-.47,-14.04,;-.47,-15.59,;-1.81,-16.36,;-3.14,-15.59,;-3.14,-14.05,;-1.81,-13.28,;-4.47,-16.36,;-5.8,-15.59,;-7.14,-16.35,;-7.14,-17.9,;-5.79,-18.67,;-5.46,-20.18,;-3.93,-20.32,;-3.32,-18.91,;-4.47,-17.89,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4 in presence of 50 % human serum				Bioorg Med Chem Lett 17: 5806-11 (2007) Article DOI: 10.1016/j.bmcl.2007.08.049 BindingDB Entry DOI: 10.7270/Q2251HXN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221975 ((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,20.24,wD:5.4,(-.49,-9.42,;-.48,-10.96,;-1.82,-11.73,;.85,-11.72,;2.18,-10.95,;.86,-13.26,;2.19,-14.03,;2.2,-15.57,;3.53,-13.25,;3.52,-11.71,;4.86,-14.02,;6.27,-13.39,;7.31,-14.53,;6.54,-15.86,;6.13,-17.34,;8.06,-16.09,;5.03,-15.55,;-.47,-14.04,;-.47,-15.59,;-1.81,-16.36,;-3.14,-15.59,;-3.14,-14.05,;-1.81,-13.28,;-4.47,-16.36,;-5.8,-15.59,;-7.14,-16.35,;-7.14,-17.9,;-5.79,-18.67,;-5.46,-20.18,;-3.93,-20.32,;-3.32,-18.91,;-4.47,-17.89,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 5806-11 (2007) Article DOI: 10.1016/j.bmcl.2007.08.049 BindingDB Entry DOI: 10.7270/Q2251HXN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50221975 ((2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridi...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,20.24,wD:5.4,(-.49,-9.42,;-.48,-10.96,;-1.82,-11.73,;.85,-11.72,;2.18,-10.95,;.86,-13.26,;2.19,-14.03,;2.2,-15.57,;3.53,-13.25,;3.52,-11.71,;4.86,-14.02,;6.27,-13.39,;7.31,-14.53,;6.54,-15.86,;6.13,-17.34,;8.06,-16.09,;5.03,-15.55,;-.47,-14.04,;-.47,-15.59,;-1.81,-16.36,;-3.14,-15.59,;-3.14,-14.05,;-1.81,-13.28,;-4.47,-16.36,;-5.8,-15.59,;-7.14,-16.35,;-7.14,-17.9,;-5.79,-18.67,;-5.46,-20.18,;-3.93,-20.32,;-3.32,-18.91,;-4.47,-17.89,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-11-10-22(23,24)12-29)15-8-6-14(7-9-15)16-4-3-5-17-26-13-27-30(16)17/h3-5,13-15,18-19H,6-12,25H2,1-2H3/t14-,15+,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP8				Bioorg Med Chem Lett 17: 5806-11 (2007) Article DOI: 10.1016/j.bmcl.2007.08.049 BindingDB Entry DOI: 10.7270/Q2251HXN
					More data for this Ligand-Target Pair