BDBM50434188 CHEMBL2385281::US9346814, Cmpd No 2 Example 3

SMILES: O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N

InChI Key: InChIKey=MTHMMXFBHKGAAI-LBPRGKRZSA-N

Data: 1 KI  16 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 17 hits for monomerid = 50434188   

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
Fibroblast activation protein (FAP) (Mus musculus (Mouse))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair
Fibroblast activation protein (FAP) (Mus musculus (Mouse))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	860	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.35E+4	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	860	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Fibroblast activation protein (FAP) (Mus musculus (Mouse))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry				J Med Chem 57: 3053-74 (2014) Article DOI: 10.1021/jm500031w BindingDB Entry DOI: 10.7270/Q2P84DFW
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of human recombinant PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substra...				ACS Med Chem Lett 4: 491-6 (2013) Article DOI: 10.1021/ml300410d BindingDB Entry DOI: 10.7270/Q2KP83J7
					More data for this Ligand-Target Pair
Fibroblast activation protein (FAP) (Mus musculus (Mouse))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair
Fibroblast activation protein (FAP) (Mus musculus (Mouse))	BDBM50434188 (CHEMBL2385281 | US9346814, Cmpd No 2 Example 3) Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	8.3	37
Universiteit Antwerp; Fox Chase Cancer Center US Patent					Assay Description Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...				US Patent US9346814 (2016) BindingDB Entry DOI: 10.7270/Q2W37V6D
					More data for this Ligand-Target Pair