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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 614.1
BDBM440709

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))
BDBM440709
PNG
(US10639284, Compound 2.060 | US11426364, Compound ...)
Show SMILES COc1cccc(c1F)-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN2CCC[C@H](O)C2)cc1Cl |r|
Show InChI InChI=1S/C35H33ClFN3O4/c1-42-32-9-3-8-29(35(32)37)26-6-2-7-28-27(26)10-11-31(28)44-34-15-33(43-21-23-13-22(16-38)17-39-18-23)24(14-30(34)36)19-40-12-4-5-25(41)20-40/h2-3,6-9,13-15,17-18,25,31,41H,4-5,10-12,19-21H2,1H3/t25-,31-/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))
BDBM440709
PNG
(US10639284, Compound 2.060 | US11426364, Compound ...)
Show SMILES COc1cccc(c1F)-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN2CCC[C@H](O)C2)cc1Cl |r|
Show InChI InChI=1S/C35H33ClFN3O4/c1-42-32-9-3-8-29(35(32)37)26-6-2-7-28-27(26)10-11-31(28)44-34-15-33(43-21-23-13-22(16-38)17-39-18-23)24(14-30(34)36)19-40-12-4-5-25(41)20-40/h2-3,6-9,13-15,17-18,25,31,41H,4-5,10-12,19-21H2,1H3/t25-,31-/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