BDBM50221976 (2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-((1s,4R)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclohexyl)butanamide::CHEMBL235198

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=LWSSLJBOFVYJKZ-XIEOWMODSA-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 = 50221976   

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))	BDBM50221976 ((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)| Show InChI InChI=1S/C22H34F2N6O2/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/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15+,16?,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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))	BDBM50221976 ((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)| Show InChI InChI=1S/C22H34F2N6O2/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/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15+,16?,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+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 VIII (Homo sapiens (Human))	BDBM50221976 ((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)| Show InChI InChI=1S/C22H34F2N6O2/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/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15+,16?,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221976 ((2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,...) Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)| Show InChI InChI=1S/C22H34F2N6O2/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/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15+,16?,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	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