BDBM50320123 CHEMBL1082996::trans-N-(2-(3-chlorophenyl)cyclopropyl)-3-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-3-methylbutanamide

SMILES: CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C

InChI Key: InChIKey=SJTHJFXLNKJCTG-MANSERQUSA-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 = 50320123   

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 alpha (Homo sapiens (Human))	BDBM50320123 (CHEMBL1082996 | trans-N-(2-(3-chlorophenyl)cyclopr...) Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C |r| Show InChI InChI=1S/C22H26ClFN2O2/c1-4-17-9-16(24)13-26(17)21(28)12-22(2,3)11-20(27)25-19-10-18(19)14-6-5-7-15(23)8-14/h1,5-8,16-19H,9-13H2,2-3H3,(H,25,27)/t16-,17+,18+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of FAP				Bioorg Med Chem Lett 20: 3596-600 (2010) Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50320123 (CHEMBL1082996 | trans-N-(2-(3-chlorophenyl)cyclopr...) Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C |r| Show InChI InChI=1S/C22H26ClFN2O2/c1-4-17-9-16(24)13-26(17)21(28)12-22(2,3)11-20(27)25-19-10-18(19)14-6-5-7-15(23)8-14/h1,5-8,16-19H,9-13H2,2-3H3,(H,25,27)/t16-,17+,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 20: 3596-600 (2010) Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50320123 (CHEMBL1082996 | trans-N-(2-(3-chlorophenyl)cyclopr...) Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C |r| Show InChI InChI=1S/C22H26ClFN2O2/c1-4-17-9-16(24)13-26(17)21(28)12-22(2,3)11-20(27)25-19-10-18(19)14-6-5-7-15(23)8-14/h1,5-8,16-19H,9-13H2,2-3H3,(H,25,27)/t16-,17+,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	847	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of DPP4 in presence of 50% human serum				Bioorg Med Chem Lett 20: 3596-600 (2010) Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50320123 (CHEMBL1082996 | trans-N-(2-(3-chlorophenyl)cyclopr...) Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C |r| Show InChI InChI=1S/C22H26ClFN2O2/c1-4-17-9-16(24)13-26(17)21(28)12-22(2,3)11-20(27)25-19-10-18(19)14-6-5-7-15(23)8-14/h1,5-8,16-19H,9-13H2,2-3H3,(H,25,27)/t16-,17+,18+,19-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 3596-600 (2010) Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50320123 (CHEMBL1082996 | trans-N-(2-(3-chlorophenyl)cyclopr...) Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C |r| Show InChI InChI=1S/C22H26ClFN2O2/c1-4-17-9-16(24)13-26(17)21(28)12-22(2,3)11-20(27)25-19-10-18(19)14-6-5-7-15(23)8-14/h1,5-8,16-19H,9-13H2,2-3H3,(H,25,27)/t16-,17+,18+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of DPP2				Bioorg Med Chem Lett 20: 3596-600 (2010) Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50320123 (CHEMBL1082996 | trans-N-(2-(3-chlorophenyl)cyclopr...) Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C |r| Show InChI InChI=1S/C22H26ClFN2O2/c1-4-17-9-16(24)13-26(17)21(28)12-22(2,3)11-20(27)25-19-10-18(19)14-6-5-7-15(23)8-14/h1,5-8,16-19H,9-13H2,2-3H3,(H,25,27)/t16-,17+,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of DPP4 in presence of 50% rat serum				Bioorg Med Chem Lett 20: 3596-600 (2010) Article DOI: 10.1016/j.bmcl.2010.04.124 BindingDB Entry DOI: 10.7270/Q29Z953W
					More data for this Ligand-Target Pair