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SMILES: CN1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@@H]3CCCC[C@@H]3O)cc2Cl)C1

InChI Key: InChIKey=BOQMRCLDJCGYMG-NGSGOYSCSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 482540   
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))
BDBM482540
PNG
(US10919852, Compound TABLE 1.239 | US11708326, Com...)
Show SMILES CN1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@@H]3CCCC[C@@H]3O)cc2Cl)C1 |r|
Show InChI InChI=1S/C41H44Cl2N4O4/c1-47-15-14-26(23-47)24-49-38-11-5-8-33(41(38)43)30-6-4-7-32-31(30)12-13-37(32)51-40-18-39(50-25-28-16-27(19-44)20-45-21-28)29(17-34(40)42)22-46-35-9-2-3-10-36(35)48/h4-8,11,16-18,20-21,26,35-37,46,48H,2-3,9-10,12-15,22-25H2,1H3/t26?,35-,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)
BDBM482540
PNG
(US10919852, Compound TABLE 1.239 | US11708326, Com...)
Show SMILES CN1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@@H]3CCCC[C@@H]3O)cc2Cl)C1 |r|
Show InChI InChI=1S/C41H44Cl2N4O4/c1-47-15-14-26(23-47)24-49-38-11-5-8-33(41(38)43)30-6-4-7-32-31(30)12-13-37(32)51-40-18-39(50-25-28-16-27(19-44)20-45-21-28)29(17-34(40)42)22-46-35-9-2-3-10-36(35)48/h4-8,11,16-18,20-21,26,35-37,46,48H,2-3,9-10,12-15,22-25H2,1H3/t26?,35-,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