BDBM50364164 CHEMBL1951424
SMILES: N[C@H]1CCCN(C1)c1c(C#N)c2ncn(Cc3ccnc4ccccc34)c(=O)c2n1Cc1ccccc1
InChI Key: InChIKey=WRJSBPQWADEDBH-QFIPXVFZSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50364164 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)) | BDBM50364164
(CHEMBL1951424)Show SMILES N[C@H]1CCCN(C1)c1c(C#N)c2ncn(Cc3ccnc4ccccc34)c(=O)c2n1Cc1ccccc1 |r| Show InChI InChI=1S/C29H27N7O/c30-15-24-26-27(29(37)35(19-33-26)17-21-12-13-32-25-11-5-4-10-23(21)25)36(16-20-7-2-1-3-8-20)28(24)34-14-6-9-22(31)18-34/h1-5,7-8,10-13,19,22H,6,9,14,16-18,31H2/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 17 | 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 | 3D Structure (crystal) |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50364164
(CHEMBL1951424)Show SMILES N[C@H]1CCCN(C1)c1c(C#N)c2ncn(Cc3ccnc4ccccc34)c(=O)c2n1Cc1ccccc1 |r| Show InChI InChI=1S/C29H27N7O/c30-15-24-26-27(29(37)35(19-33-26)17-21-12-13-32-25-11-5-4-10-23(21)25)36(16-20-7-2-1-3-8-20)28(24)34-14-6-9-22(31)18-34/h1-5,7-8,10-13,19,22H,6,9,14,16-18,31H2/t22-/m0/s1 | UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB 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 | |