BDBM50221981 (2S,3S)-2-((1s,4R)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclohexyl)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxobutanamide::CHEMBL238191

SMILES: CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)c1ccc2ncnn2c1

InChI Key: InChIKey=JNAZOMVWUGPITI-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 = 50221981   

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))	BDBM50221981 ((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)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/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	32	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 9 (Homo sapiens (Human))	BDBM50221981 ((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)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/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	3.80E+4	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))	BDBM50221981 ((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)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/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	130	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 VIII (Homo sapiens (Human))	BDBM50221981 ((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)c1ccc2ncnn2c1 |wU:6.6,17.23,20.24,wD:5.4,(1.5,-8.86,;1.51,-10.4,;.18,-11.17,;2.84,-11.16,;4.17,-10.39,;2.85,-12.7,;4.19,-13.47,;4.19,-15.01,;5.52,-12.69,;5.51,-11.15,;6.85,-13.46,;8.26,-12.83,;9.3,-13.97,;8.53,-15.3,;8.12,-16.78,;10.05,-15.53,;7.02,-14.99,;1.52,-13.48,;1.52,-15.03,;.18,-15.8,;-1.15,-15.03,;-1.15,-13.49,;.18,-12.72,;-2.48,-15.8,;-2.48,-17.33,;-3.81,-18.11,;-5.15,-17.34,;-6.62,-17.82,;-7.53,-16.57,;-6.62,-15.31,;-5.15,-15.79,;-3.81,-15.03,)| Show InChI InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/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	>1.00E+5	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