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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 588.0
BDBM440792

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

Found 4 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))
BDBM440792
PNG
(US10639284, Compound 2.139 | US10639284, Compound ...)
Show SMILES OC[C@H](NCc1cc(Cl)c(O[C@@H]2CCc3c2cccc3-c2ccccc2F)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C32H27ClFN3O5/c33-26-11-21(16-37-28(17-38)32(39)40)30(41-18-20-10-19(13-35)14-36-15-20)12-31(26)42-29-9-8-23-22(5-3-6-25(23)29)24-4-1-2-7-27(24)34/h1-7,10-12,14-15,28-29,37-38H,8-9,16-18H2,(H,39,40)/t28-,29+/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
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM440792
PNG
(US10639284, Compound 2.139 | US10639284, Compound ...)
Show SMILES OC[C@H](NCc1cc(Cl)c(O[C@@H]2CCc3c2cccc3-c2ccccc2F)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C32H27ClFN3O5/c33-26-11-21(16-37-28(17-38)32(39)40)30(41-18-20-10-19(13-35)14-36-15-20)12-31(26)42-29-9-8-23-22(5-3-6-25(23)29)24-4-1-2-7-27(24)34/h1-7,10-12,14-15,28-29,37-38H,8-9,16-18H2,(H,39,40)/t28-,29+/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))
BDBM440792
PNG
(US10639284, Compound 2.139 | US10639284, Compound ...)
Show SMILES OC[C@H](NCc1cc(Cl)c(O[C@@H]2CCc3c2cccc3-c2ccccc2F)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C32H27ClFN3O5/c33-26-11-21(16-37-28(17-38)32(39)40)30(41-18-20-10-19(13-35)14-36-15-20)12-31(26)42-29-9-8-23-22(5-3-6-25(23)29)24-4-1-2-7-27(24)34/h1-7,10-12,14-15,28-29,37-38H,8-9,16-18H2,(H,39,40)/t28-,29+/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))
BDBM440792
PNG
(US10639284, Compound 2.139 | US10639284, Compound ...)
Show SMILES OC[C@H](NCc1cc(Cl)c(O[C@@H]2CCc3c2cccc3-c2ccccc2F)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C32H27ClFN3O5/c33-26-11-21(16-37-28(17-38)32(39)40)30(41-18-20-10-19(13-35)14-36-15-20)12-31(26)42-29-9-8-23-22(5-3-6-25(23)29)24-4-1-2-7-27(24)34/h1-7,10-12,14-15,28-29,37-38H,8-9,16-18H2,(H,39,40)/t28-,29+/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