BDBM50226102 4-(((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecarbonyl)pyrrolidin-1-yl)methyl)-2,6-diethylbenzonitrile::CHEMBL429482

SMILES: CCc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)cc(CC)c1C#N

InChI Key: InChIKey=FOSWPQIMJGEVET-ALYOVRGDSA-N

Data: 2 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 2 hits for monomerid = 50226102   

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 VIII (Homo sapiens (Human))	BDBM50226102 (4-(((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecar...) Show SMILES CCc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)cc(CC)c1C#N |w:14.14| Show InChI InChI=1S/C23H30N4O/c1-3-16-8-15(9-17(4-2)20(16)11-25)12-27-13-21(22(26)14-27)23(28)19-7-5-6-18(19)10-24/h8-9,18-19,21-22H,3-7,12-14,26H2,1-2H3/t18-,19?,21+,22-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP8				Bioorg Med Chem Lett 17: 6707-13 (2007) Article DOI: 10.1016/j.bmcl.2007.10.063 BindingDB Entry DOI: 10.7270/Q2ZS2W8B
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50226102 (4-(((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecar...) Show SMILES CCc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)cc(CC)c1C#N |w:14.14| Show InChI InChI=1S/C23H30N4O/c1-3-16-8-15(9-17(4-2)20(16)11-25)12-27-13-21(22(26)14-27)23(28)19-7-5-6-18(19)10-24/h8-9,18-19,21-22H,3-7,12-14,26H2,1-2H3/t18-,19?,21+,22-/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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 6707-13 (2007) Article DOI: 10.1016/j.bmcl.2007.10.063 BindingDB Entry DOI: 10.7270/Q2ZS2W8B
					More data for this Ligand-Target Pair