BindingDB logo
myBDB logout

null

SMILES: Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNCCS(O)(=O)=O)cc1Cl

InChI Key: InChIKey=LRYDUGFPHHXOGA-LHEWISCISA-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 = 482711   
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))
BDBM482711
PNG
(US10919852, Compound TABLE 1.410 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNCCS(O)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C40H44ClFN4O6S/c1-27-32(5-3-8-37(27)50-17-4-14-46-15-11-31(42)12-16-46)33-6-2-7-35-34(33)9-10-38(35)52-40-21-39(51-26-29-19-28(22-43)23-45-24-29)30(20-36(40)41)25-44-13-18-53(47,48)49/h2-3,5-8,19-21,23-24,31,38,44H,4,9-18,25-26H2,1H3,(H,47,48,49)/t38-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
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)
BDBM482711
PNG
(US10919852, Compound TABLE 1.410 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNCCS(O)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C40H44ClFN4O6S/c1-27-32(5-3-8-37(27)50-17-4-14-46-15-11-31(42)12-16-46)33-6-2-7-35-34(33)9-10-38(35)52-40-21-39(51-26-29-19-28(22-43)23-45-24-29)30(20-36(40)41)25-44-13-18-53(47,48)49/h2-3,5-8,19-21,23-24,31,38,44H,4,9-18,25-26H2,1H3,(H,47,48,49)/t38-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
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