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SMILES: F[C@@H]1CCN(Cc2cc(Cl)c(O[C@H]3CCc4c3cccc4-c3cccc(OCCCN4CCC(F)CC4)c3Cl)cc2OCc2cncc(c2)C#N)C1

InChI Key: InChIKey=FGWOTXVFFFYRCH-XLNFBEDTSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 482462   
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))
BDBM482462
PNG
(US10919852, Compound TABLE 1.161 | US11708326, Com...)
Show SMILES F[C@@H]1CCN(Cc2cc(Cl)c(O[C@H]3CCc4c3cccc4-c3cccc(OCCCN4CCC(F)CC4)c3Cl)cc2OCc2cncc(c2)C#N)C1 |r|
Show InChI InChI=1S/C41H42Cl2F2N4O3/c42-36-19-29(24-49-16-12-31(45)25-49)39(51-26-28-18-27(21-46)22-47-23-28)20-40(36)52-37-9-8-33-32(4-1-5-34(33)37)35-6-2-7-38(41(35)43)50-17-3-13-48-14-10-30(44)11-15-48/h1-2,4-7,18-20,22-23,30-31,37H,3,8-17,24-26H2/t31-,37+/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)
BDBM482462
PNG
(US10919852, Compound TABLE 1.161 | US11708326, Com...)
Show SMILES F[C@@H]1CCN(Cc2cc(Cl)c(O[C@H]3CCc4c3cccc4-c3cccc(OCCCN4CCC(F)CC4)c3Cl)cc2OCc2cncc(c2)C#N)C1 |r|
Show InChI InChI=1S/C41H42Cl2F2N4O3/c42-36-19-29(24-49-16-12-31(45)25-49)39(51-26-28-18-27(21-46)22-47-23-28)20-40(36)52-37-9-8-33-32(4-1-5-34(33)37)35-6-2-7-38(41(35)43)50-17-3-13-48-14-10-30(44)11-15-48/h1-2,4-7,18-20,22-23,30-31,37H,3,8-17,24-26H2/t31-,37+/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