BDBM50364162 CHEMBL1951426
SMILES: COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O
InChI Key: InChIKey=HRIUEBKJRLZJBF-SFHVURJKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50364162 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)) | BDBM50364162
(CHEMBL1951426)Show SMILES COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O |r| Show InChI InChI=1S/C25H26N6O3/c1-3-4-11-31-23-22(20(13-26)24(31)29-10-6-8-18(27)14-29)28-16-30(25(23)33)15-21(32)17-7-5-9-19(12-17)34-2/h5,7,9,12,16,18H,6,8,10-11,14-15,27H2,1-2H3/t18-/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system |
Bioorg Med Chem Lett 22: 1464-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50364162
(CHEMBL1951426)Show SMILES COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O |r| Show InChI InChI=1S/C25H26N6O3/c1-3-4-11-31-23-22(20(13-26)24(31)29-10-6-8-18(27)14-29)28-16-30(25(23)33)15-21(32)17-7-5-9-19(12-17)34-2/h5,7,9,12,16,18H,6,8,10-11,14-15,27H2,1-2H3/t18-/m0/s1 | UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of M1 receptor |
Bioorg Med Chem Lett 22: 1464-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8 |
More data for this Ligand-Target Pair | |