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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 598.0
BDBM440962

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))
BDBM440962
PNG
(US10639284, Compound 3.131 | US11426364, Compound ...)
Show SMILES OC(=O)[C@H]1CCN(Cc2cc(Cl)c(O[C@H]3CCc4c3cccc4-c3ccccc3F)cc2OCc2cncc(c2)C#N)C1 |r|
Show InChI InChI=1S/C34H29ClFN3O4/c35-29-13-24(19-39-11-10-23(18-39)34(40)41)32(42-20-22-12-21(15-37)16-38-17-22)14-33(29)43-31-9-8-26-25(5-3-6-28(26)31)27-4-1-2-7-30(27)36/h1-7,12-14,16-17,23,31H,8-11,18-20H2,(H,40,41)/t23-,31-/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))
BDBM440962
PNG
(US10639284, Compound 3.131 | US11426364, Compound ...)
Show SMILES OC(=O)[C@H]1CCN(Cc2cc(Cl)c(O[C@H]3CCc4c3cccc4-c3ccccc3F)cc2OCc2cncc(c2)C#N)C1 |r|
Show InChI InChI=1S/C34H29ClFN3O4/c35-29-13-24(19-39-11-10-23(18-39)34(40)41)32(42-20-22-12-21(15-37)16-38-17-22)14-33(29)43-31-9-8-26-25(5-3-6-28(26)31)27-4-1-2-7-30(27)36/h1-7,12-14,16-17,23,31H,8-11,18-20H2,(H,40,41)/t23-,31-/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