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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 = 'BDBM50542971'   
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))
BDBM50542971
PNG
(CHEMBL4637999)
Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccncc1 |r|
Show InChI InChI=1S/C34H32ClN3O4/c1-23-27(8-5-9-29(23)26-11-13-37-14-12-26)22-42-33-18-32(41-21-25-7-4-6-24(16-25)19-36)28(17-30(33)35)20-38-15-3-2-10-31(38)34(39)40/h4-9,11-14,16-18,31H,2-3,10,15,20-22H2,1H3,(H,39,40)/t31-/m1/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