BDBM50364148 CHEMBL1951439
SMILES: CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3nc(C)c4ccccc4n3)c(=O)c12
InChI Key: InChIKey=JQITYJFVVIMJBU-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50364148 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)) | BDBM50364148
(CHEMBL1951439)Show SMILES CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3nc(C)c4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C26H26N8O/c1-3-4-13-34-24-23(20(15-27)25(34)32-12-7-10-28-11-14-32)29-17-33(26(24)35)16-22-30-18(2)19-8-5-6-9-21(19)31-22/h5-6,8-9,17,28H,7,10-14,16H2,1-2H3 | 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 | 9 | 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)) | BDBM50364148
(CHEMBL1951439)Show SMILES CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3nc(C)c4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C26H26N8O/c1-3-4-13-34-24-23(20(15-27)25(34)32-12-7-10-28-11-14-32)29-17-33(26(24)35)16-22-30-18(2)19-8-5-6-9-21(19)31-22/h5-6,8-9,17,28H,7,10-14,16H2,1-2H3 | 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 | |
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