BDBM224588 US10202383, Example 2(86)::US9321791, 2(86)::US9556175, 2(86)

SMILES: CCNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O

InChI Key: InChIKey=QCYGZVPIRYMZSH-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 = 224588   

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))	BDBM224588 (US10202383, Example 2(86) | US9321791, 2(86) | US9...) Show SMILES CCNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O Show InChI InChI=1S/C27H33N7O5/c1-4-6-14-33-23-24(30-26(33)32-13-9-10-18(28)15-32)31(3)27(38)34(25(23)37)16-20(35)19-11-7-8-12-21(19)39-17-22(36)29-5-2/h7-8,11-12,18H,5,9-10,13-17,28H2,1-3H3,(H,29,36)/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))	BDBM224588 (US10202383, Example 2(86) | US9321791, 2(86) | US9...) Show SMILES CCNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O Show InChI InChI=1S/C27H33N7O5/c1-4-6-14-33-23-24(30-26(33)32-13-9-10-18(28)15-32)31(3)27(38)34(25(23)37)16-20(35)19-11-7-8-12-21(19)39-17-22(36)29-5-2/h7-8,11-12,18H,5,9-10,13-17,28H2,1-3H3,(H,29,36)/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))	BDBM224588 (US10202383, Example 2(86) | US9321791, 2(86) | US9...) Show SMILES CCNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O Show InChI InChI=1S/C27H33N7O5/c1-4-6-14-33-23-24(30-26(33)32-13-9-10-18(28)15-32)31(3)27(38)34(25(23)37)16-20(35)19-11-7-8-12-21(19)39-17-22(36)29-5-2/h7-8,11-12,18H,5,9-10,13-17,28H2,1-3H3,(H,29,36)/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