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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 614.0
BDBM440953

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))
BDBM440953
PNG
(US10639284, Compound 3.122 | US11426364, Compound ...)
Show SMILES OC[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2ccc3OCOc3c2)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C33H28ClN3O7/c34-26-9-22(15-37-27(16-38)33(39)40)30(41-17-20-8-19(12-35)13-36-14-20)11-31(26)44-28-7-5-24-23(2-1-3-25(24)28)21-4-6-29-32(10-21)43-18-42-29/h1-4,6,8-11,13-14,27-28,37-38H,5,7,15-18H2,(H,39,40)/t27-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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))
BDBM440953
PNG
(US10639284, Compound 3.122 | US11426364, Compound ...)
Show SMILES OC[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2ccc3OCOc3c2)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C33H28ClN3O7/c34-26-9-22(15-37-27(16-38)33(39)40)30(41-17-20-8-19(12-35)13-36-14-20)11-31(26)44-28-7-5-24-23(2-1-3-25(24)28)21-4-6-29-32(10-21)43-18-42-29/h1-4,6,8-11,13-14,27-28,37-38H,5,7,15-18H2,(H,39,40)/t27-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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