BDBM50228406 (R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1-((3-methylisoquinolin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL237499::US10202383, Example 2(130)::US9321791, 2(130)::US9556175, 2(130)

SMILES: CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1

InChI Key: InChIKey=DFWUAFCLJJBUNR-LJQANCHMSA-N

Data: 6 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 6 hits for monomerid = 50228406   

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))	BDBM50228406 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-10-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...				US Patent US9321791 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WNR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228406 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-10-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3/t19-/m1/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human DPP4 in Caco2 cells by fluorescene assay				J Med Chem 50: 6450-3 (2007) Article DOI: 10.1021/jm701280z BindingDB Entry DOI: 10.7270/Q2639PGG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228406 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-10-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US10202383 (2019) BindingDB Entry DOI: 10.7270/Q2P55QNN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228406 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-10-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3/t19-/m1/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco-2 cells after 1 hr				Bioorg Med Chem Lett 18: 3158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.04.075 BindingDB Entry DOI: 10.7270/Q2ZP470M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228406 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-10-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US9556175 (2017) BindingDB Entry DOI: 10.7270/Q2Z03B5T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50228406 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-10-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3/t19-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]-scopolamine from human recombinant muscarinic M1 receptor expressed in CHO cells				J Med Chem 50: 6450-3 (2007) Article DOI: 10.1021/jm701280z BindingDB Entry DOI: 10.7270/Q2639PGG
					More data for this Ligand-Target Pair