BDBM12638 (2S,5R)-5-ethynyl-1-{N-(4-trans(5-cyano-pyridin-2-yloxy)cyclohexyl)glycyl}pyrrolidine-2-carbonitrile::6-{[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile::C5-substituted pyrrolidine 31
SMILES: O=C(CN[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1[C@H](CC[C@H]1C#N)C#C
InChI Key: InChIKey=CBFPTXDGNGGMLX-VJANTYMQSA-N
Data: 3 KI
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)) | BDBM12638 ((2S,5R)-5-ethynyl-1-{N-(4-trans(5-cyano-pyridin-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea... | J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 9 (Homo sapiens (Human)) | BDBM12638 ((2S,5R)-5-ethynyl-1-{N-(4-trans(5-cyano-pyridin-2-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas... | J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM12638 ((2S,5R)-5-ethynyl-1-{N-(4-trans(5-cyano-pyridin-2-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas... | J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1 | |||||||||||
More data for this Ligand-Target Pair |