BDBM50221984 (2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-(4-(pyridin-3-yl)cyclohexyl)butan-1-one::CHEMBL237151

SMILES: C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1

InChI Key: InChIKey=DBPRQFOGZMRFRJ-GIOUXUJVSA-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 = 50221984   

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 VIII (Homo sapiens (Human))	BDBM50221984 ((2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-...) Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1 |wU:2.2,wD:1.0,(21.02,4.01,;21.02,2.47,;22.36,1.7,;22.36,.16,;23.69,2.47,;23.69,4.01,;25.03,1.7,;26.43,2.32,;27.46,1.17,;26.68,-.16,;25.9,-1.49,;28.19,-.48,;25.17,.16,;19.68,1.7,;19.68,.15,;18.35,-.61,;17.02,.15,;17.02,1.7,;18.35,2.47,;15.69,-.62,;14.36,.14,;13.03,-.63,;13.03,-2.17,;14.37,-2.93,;15.69,-2.16,)| Show InChI InChI=1S/C19H27F2N3O/c1-13(17(22)18(25)24-10-8-19(20,21)12-24)14-4-6-15(7-5-14)16-3-2-9-23-11-16/h2-3,9,11,13-15,17H,4-8,10,12,22H2,1H3/t13-,14?,15?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.40E+3	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 9 (Homo sapiens (Human))	BDBM50221984 ((2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-...) Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1 |wU:2.2,wD:1.0,(21.02,4.01,;21.02,2.47,;22.36,1.7,;22.36,.16,;23.69,2.47,;23.69,4.01,;25.03,1.7,;26.43,2.32,;27.46,1.17,;26.68,-.16,;25.9,-1.49,;28.19,-.48,;25.17,.16,;19.68,1.7,;19.68,.15,;18.35,-.61,;17.02,.15,;17.02,1.7,;18.35,2.47,;15.69,-.62,;14.36,.14,;13.03,-.63,;13.03,-2.17,;14.37,-2.93,;15.69,-2.16,)| Show InChI InChI=1S/C19H27F2N3O/c1-13(17(22)18(25)24-10-8-19(20,21)12-24)14-4-6-15(7-5-14)16-3-2-9-23-11-16/h2-3,9,11,13-15,17H,4-8,10,12,22H2,1H3/t13-,14?,15?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+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))	BDBM50221984 ((2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-...) Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1 |wU:2.2,wD:1.0,(21.02,4.01,;21.02,2.47,;22.36,1.7,;22.36,.16,;23.69,2.47,;23.69,4.01,;25.03,1.7,;26.43,2.32,;27.46,1.17,;26.68,-.16,;25.9,-1.49,;28.19,-.48,;25.17,.16,;19.68,1.7,;19.68,.15,;18.35,-.61,;17.02,.15,;17.02,1.7,;18.35,2.47,;15.69,-.62,;14.36,.14,;13.03,-.63,;13.03,-2.17,;14.37,-2.93,;15.69,-2.16,)| Show InChI InChI=1S/C19H27F2N3O/c1-13(17(22)18(25)24-10-8-19(20,21)12-24)14-4-6-15(7-5-14)16-3-2-9-23-11-16/h2-3,9,11,13-15,17H,4-8,10,12,22H2,1H3/t13-,14?,15?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.60	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 4 (Homo sapiens (Human))	BDBM50221984 ((2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-...) Show SMILES C[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)C1CCC(CC1)c1cccnc1 |wU:2.2,wD:1.0,(21.02,4.01,;21.02,2.47,;22.36,1.7,;22.36,.16,;23.69,2.47,;23.69,4.01,;25.03,1.7,;26.43,2.32,;27.46,1.17,;26.68,-.16,;25.9,-1.49,;28.19,-.48,;25.17,.16,;19.68,1.7,;19.68,.15,;18.35,-.61,;17.02,.15,;17.02,1.7,;18.35,2.47,;15.69,-.62,;14.36,.14,;13.03,-.63,;13.03,-2.17,;14.37,-2.93,;15.69,-2.16,)| Show InChI InChI=1S/C19H27F2N3O/c1-13(17(22)18(25)24-10-8-19(20,21)12-24)14-4-6-15(7-5-14)16-3-2-9-23-11-16/h2-3,9,11,13-15,17H,4-8,10,12,22H2,1H3/t13-,14?,15?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	150	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