BDBM224606 US10202383, Example 2(247)::US9321791, 2(247)::US9556175, 2(247)

SMILES: CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(C)c4nccnc4c3)c(=O)c12)N1CCC[C@@H](N)C1

InChI Key: InChIKey=HOOFDIYMJLOSHS-GOSISDBHSA-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 = 224606   

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))	BDBM224606 (US10202383, Example 2(247) | US9321791, 2(247) | U...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(C)c4nccnc4c3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-11-32-21-22(29-24(32)31-10-6-7-18(26)15-31)30(3)25(35)33(23(21)34)14-17-12-16(2)20-19(13-17)27-8-9-28-20/h8-9,12-13,18H,6-7,10-11,14-15,26H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM224606 (US10202383, Example 2(247) | US9321791, 2(247) | U...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(C)c4nccnc4c3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-11-32-21-22(29-24(32)31-10-6-7-18(26)15-31)30(3)25(35)33(23(21)34)14-17-12-16(2)20-19(13-17)27-8-9-28-20/h8-9,12-13,18H,6-7,10-11,14-15,26H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM224606 (US10202383, Example 2(247) | US9321791, 2(247) | U...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(C)c4nccnc4c3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-11-32-21-22(29-24(32)31-10-6-7-18(26)15-31)30(3)25(35)33(23(21)34)14-17-12-16(2)20-19(13-17)27-8-9-28-20/h8-9,12-13,18H,6-7,10-11,14-15,26H2,1-3H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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