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Patent code US10815208

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PD-1/PD-L1


(Homo sapiens-Homo sapiens (Human))
BDBM363402
PNG
(N-(2-((5-bromo-4-((2-cyano-3-(2,3-dihydrobenzo[b][...)
Show SMILES CC(=O)NCCNCc1cc(Br)c(OCc2cccc(-c3ccc4OCCOc4c3)c2C#N)cc1OCc1cccc(c1)C#N
Show InChI InChI=1S/C35H31BrN4O5/c1-23(41)40-11-10-39-20-28-15-31(36)34(17-33(28)44-21-25-5-2-4-24(14-25)18-37)45-22-27-6-3-7-29(30(27)19-38)26-8-9-32-35(16-26)43-13-12-42-32/h2-9,14-17,39H,10-13,20-22H2,1H3,(H,40,41)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
n/an/a 7.12n/an/an/an/an/an/a


TBA

Assay Description
1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody a...


Citation and Details
More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens-Homo sapiens (Human))
BDBM363436
PNG
((S)-2-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-...)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](Cc3cccnc3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C38H33ClN4O6/c1-24-29(5-2-6-31(24)28-7-8-34-37(15-28)47-11-10-46-34)23-49-36-16-35(48-22-27-12-26(17-40)19-42-20-27)30(14-32(36)39)21-43-33(38(44)45)13-25-4-3-9-41-18-25/h2-9,12,14-16,18-20,33,43H,10-11,13,21-23H2,1H3,(H,44,45)/t33-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody a...


Citation and Details
More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens-Homo sapiens (Human))
BDBM470337
PNG
(US10815208, Example 2)
Show SMILES CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCc1cccc(c1)C#N
Show InChI InChI=1S/C32H29BrClN3O3/c1-22(38)37-14-13-36-19-27-16-29(34)31(17-30(27)39-20-24-8-5-7-23(15-24)18-35)40-21-26-11-6-12-28(32(26)33)25-9-3-2-4-10-25/h2-12,15-17,36H,13-14,19-21H2,1H3,(H,37,38)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
n/an/a 62.3n/an/an/an/an/an/a


TBA

Assay Description
1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody a...


Citation and Details
More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens-Homo sapiens (Human))
BDBM470338
PNG
(US10815208, Example 4)
Show SMILES OCCNCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N
Show InChI InChI=1S/C32H28BrClN2O5/c33-32-24(5-2-6-26(32)23-7-8-28-31(15-23)39-12-11-38-28)20-41-30-16-29(25(14-27(30)34)18-36-9-10-37)40-19-22-4-1-3-21(13-22)17-35/h1-8,13-16,36-37H,9-12,18-20H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
n/an/a 268n/an/an/an/an/an/a


TBA

Assay Description
1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody a...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%