BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=OQPKODVIZVTELX-RQOYOAKWSA-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 = 482559   
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))
BDBM482559
PNG
(US10919852, Compound TABLE 1.258 | US11708326, Com...)
Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C42H43Cl2FN4O4/c43-34-15-28(22-48-35-9-10-36(35)50)39(52-23-27-14-26(19-46)20-47-21-27)16-40(34)53-37-11-8-31-30(4-1-5-32(31)37)33-6-2-7-38(41(33)44)51-13-3-12-49-24-42(25-49)17-29(45)18-42/h1-2,4-7,14-16,20-21,29,35-37,48,50H,3,8-13,17-18,22-25H2/t35-,36-,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)
BDBM482559
PNG
(US10919852, Compound TABLE 1.258 | US11708326, Com...)
Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C42H43Cl2FN4O4/c43-34-15-28(22-48-35-9-10-36(35)50)39(52-23-27-14-26(19-46)20-47-21-27)16-40(34)53-37-11-8-31-30(4-1-5-32(31)37)33-6-2-7-38(41(33)44)51-13-3-12-49-24-42(25-49)17-29(45)18-42/h1-2,4-7,14-16,20-21,29,35-37,48,50H,3,8-13,17-18,22-25H2/t35-,36-,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