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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50542973   
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))
BDBM50542973
PNG
(CHEMBL4643215)
Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccncc1
Show InChI InChI=1S/C32H30ClN3O4/c1-21-25(8-5-9-27(21)24-10-12-35-13-11-24)20-40-30-16-29(39-19-23-7-4-6-22(14-23)17-34)26(15-28(30)33)18-36-32(2,3)31(37)38/h4-16,36H,18-20H2,1-3H3,(H,37,38)
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 C-terminal Ig-Fc-tagged PD1 (Leu25 to Gln167 residues) expressed in HEK293 cells/human C-terminal epitope-His-tagged PDL1 (Phe19 ...


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
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM50542973
PNG
(CHEMBL4643215)
Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccncc1
Show InChI InChI=1S/C32H30ClN3O4/c1-21-25(8-5-9-27(21)24-10-12-35-13-11-24)20-40-30-16-29(39-19-23-7-4-6-22(14-23)17-34)26(15-28(30)33)18-36-32(2,3)31(37)38/h4-16,36H,18-20H2,1-3H3,(H,37,38)
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