BDBM50168268 (S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyryl]-pyrrolidine-2-carbonitrile::CHEMBL369883

SMILES: COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=IXTYKLRDJPLWOX-HOTGVXAUSA-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 = 50168268   

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 2 (DPP II) (Homo sapiens (Human))	BDBM50168268 ((S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H26N4O4/c1-27-17-8-13-5-7-23(12-14(13)9-18(17)28-2)19(25)10-16(22)20(26)24-6-3-4-15(24)11-21/h8-9,15-16H,3-7,10,12,22H2,1-2H3/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibitory concentration against DPP-II [Quiescent cell proline dipeptidase] or DPP-VII				Bioorg Med Chem Lett 15: 3271-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.051 BindingDB Entry DOI: 10.7270/Q2RF5TJX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50168268 ((S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H26N4O4/c1-27-17-8-13-5-7-23(12-14(13)9-18(17)28-2)19(25)10-16(22)20(26)24-6-3-4-15(24)11-21/h8-9,15-16H,3-7,10,12,22H2,1-2H3/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibitory concentration against Dipeptidyl-peptidase 8				Bioorg Med Chem Lett 15: 3271-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.051 BindingDB Entry DOI: 10.7270/Q2RF5TJX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50168268 ((S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H26N4O4/c1-27-17-8-13-5-7-23(12-14(13)9-18(17)28-2)19(25)10-16(22)20(26)24-6-3-4-15(24)11-21/h8-9,15-16H,3-7,10,12,22H2,1-2H3/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]				Bioorg Med Chem Lett 15: 3271-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.051 BindingDB Entry DOI: 10.7270/Q2RF5TJX
					More data for this Ligand-Target Pair