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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 = 'BDBM50542952'   
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))
BDBM50542952
PNG
(CHEMBL4646568)
Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCC(O)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C35H33ClN2O5/c1-23-27(6-3-7-30(23)26-8-9-32-35(16-26)41-13-12-40-32)22-43-34-17-33(42-21-25-5-2-4-24(14-25)18-37)28(15-31(34)36)19-38-11-10-29(39)20-38/h2-9,14-17,29,39H,10-13,19-22H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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