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SMILES: O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N

InChI Key: InChIKey=ZBXPACYARQCBOF-LBYVEUBFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 482563   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM482563
PNG
(US10919852, Compound TABLE 1.262 | US11708326, Com...)
Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C42H42Cl2F2N4O4/c43-33-15-28(20-49-34-9-10-35(34)51)38(53-21-27-14-26(17-47)18-48-19-27)16-39(33)54-36-11-8-30-29(4-1-5-31(30)36)32-6-2-7-37(40(32)44)52-13-3-12-50-24-41(25-50)22-42(45,46)23-41/h1-2,4-7,14-16,18-19,34-36,49,51H,3,8-13,20-25H2/t34-,35-,36+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N56DJ
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482563
PNG
(US10919852, Compound TABLE 1.262 | US11708326, Com...)
Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C42H42Cl2F2N4O4/c43-33-15-28(20-49-34-9-10-35(34)51)38(53-21-27-14-26(17-47)18-48-19-27)16-39(33)54-36-11-8-30-29(4-1-5-31(30)36)32-6-2-7-37(40(32)44)52-13-3-12-50-24-41(25-50)22-42(45,46)23-41/h1-2,4-7,14-16,18-19,34-36,49,51H,3,8-13,20-25H2/t34-,35-,36+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair