BDBM224584 US10202383, Example 2(52)::US9321791, 2(52)::US9556175, 2(52)

SMILES: CC#CCn1c(nc2n(C)c(=O)n(Cc3ccnc4ccccc34)c(=O)c12)N1CCCC(N)C1

InChI Key: InChIKey=IVWUOVGPOSTUDO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 224584   

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))	BDBM224584 (US10202383, Example 2(52) | US9321791, 2(52) | US9...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccnc4ccccc34)c(=O)c12)N1CCCC(N)C1 Show InChI InChI=1S/C25H27N7O2/c1-3-4-14-31-21-22(28-24(31)30-13-7-8-18(26)16-30)29(2)25(34)32(23(21)33)15-17-11-12-27-20-10-6-5-9-19(17)20/h5-6,9-12,18H,7-8,13-16,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM224584 (US10202383, Example 2(52) | US9321791, 2(52) | US9...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccnc4ccccc34)c(=O)c12)N1CCCC(N)C1 Show InChI InChI=1S/C25H27N7O2/c1-3-4-14-31-21-22(28-24(31)30-13-7-8-18(26)16-30)29(2)25(34)32(23(21)33)15-17-11-12-27-20-10-6-5-9-19(17)20/h5-6,9-12,18H,7-8,13-16,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM224584 (US10202383, Example 2(52) | US9321791, 2(52) | US9...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccnc4ccccc34)c(=O)c12)N1CCCC(N)C1 Show InChI InChI=1S/C25H27N7O2/c1-3-4-14-31-21-22(28-24(31)30-13-7-8-18(26)16-30)29(2)25(34)32(23(21)33)15-17-11-12-27-20-10-6-5-9-19(17)20/h5-6,9-12,18H,7-8,13-16,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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