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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 = 'BDBM50542934'   
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))
BDBM50542934
PNG
(CHEMBL4637912)
Show SMILES CN(C)CCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N
Show InChI InChI=1S/C35H36ClN3O4/c1-24-28(8-5-9-30(24)27-10-11-32-35(18-27)41-15-14-40-32)23-43-34-19-33(42-22-26-7-4-6-25(16-26)20-37)29(17-31(34)36)21-38-12-13-39(2)3/h4-11,16-19,38H,12-15,21-23H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/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