BDBM50221979 (2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexyl)-3-amino-4-((S)-3-fluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxobutanamide::(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE::CHEMBL400841

SMILES: CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12

InChI Key: InChIKey=ZPWDKZWKUOYOHA-UKSSEWCLSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50221979   

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))	BDBM50221979 ((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+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))	BDBM50221979 ((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.30	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				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221979 ((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dipeptidyl peptidase 4 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0455-6 BindingDB Entry DOI: 10.7270/Q2HH6NZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50221979 ((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221979 ((2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridi...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)| Show InChI InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	26	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				3D Structure (crystal)