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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 646.1
BDBM440924

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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 1


(Homo sapiens (Human))
BDBM440924
PNG
(US10639284, Compound 3.093 | US11426364, Compound ...)
Show SMILES Oc1ccc2CC[C@@H](Cc2c1)NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2ccccc2F)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C39H33ClFN3O3/c40-35-17-28(22-44-29-10-8-26-9-11-30(45)16-27(26)15-29)38(46-23-25-14-24(19-42)20-43-21-25)18-39(35)47-37-13-12-32-31(5-3-6-34(32)37)33-4-1-2-7-36(33)41/h1-7,9,11,14,16-18,20-21,29,37,44-45H,8,10,12-13,15,22-23H2/t29-,37-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with PBS containing 2% ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K93BSK
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM440924
PNG
(US10639284, Compound 3.093 | US11426364, Compound ...)
Show SMILES Oc1ccc2CC[C@@H](Cc2c1)NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2ccccc2F)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C39H33ClFN3O3/c40-35-17-28(22-44-29-10-8-26-9-11-30(45)16-27(26)15-29)38(46-23-25-14-24(19-42)20-43-21-25)18-39(35)47-37-13-12-32-31(5-3-6-34(32)37)33-4-1-2-7-36(33)41/h1-7,9,11,14,16-18,20-21,29,37,44-45H,8,10,12-13,15,22-23H2/t29-,37-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
Plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with PBS containing 2% BSA...


US Patent US10639284 (2020)


BindingDB Entry DOI: 10.7270/Q25Q5043
More data for this
Ligand-Target Pair