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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death 1 ligand/protein 1' and Ligand = 'BDBM50542972'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM50542972
PNG
(CHEMBL4648391)
Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](CO)C(O)=O)cc2Cl)cccc1-c1ccncc1 |r|
Show InChI InChI=1S/C31H28ClN3O5/c1-20-24(6-3-7-26(20)23-8-10-34-11-9-23)19-40-30-14-29(39-18-22-5-2-4-21(12-22)15-33)25(13-27(30)32)16-35-28(17-36)31(37)38/h2-14,28,35-36H,16-19H2,1H3,(H,37,38)/t28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay


J Med Chem 63: 8338-8358 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00574
BindingDB Entry DOI: 10.7270/Q2JS9V1Q
More data for this
Ligand-Target Pair