BDBM12647 (2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-carboxy-pyridin-2-yl)piperidin-4-yl)glycyl)pyrrolidine-2-carbonitrile::6-[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-3-carboxylic acid::ABT-279 analogue::C5-substituted pyrrolidine 41
SMILES: CC1(CCN(CC1)c1ccc(cn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C
InChI Key: InChIKey=FRCBKXRKIDHEMG-IRXDYDNUSA-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)) | BDBM12647 ((2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-carboxy-pyri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.30 | 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)) | BDBM12647 ((2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-carboxy-pyri...) | PDB KEGG UniProtKB/SwissProt 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 | |||||||||||||
Dipeptidyl peptidase 8 (Homo sapiens (Human)) | BDBM12647 ((2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-carboxy-pyri...) | 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 |