BindingDB logo
myBDB logout

null

SMILES: Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN2CCC(C)(O)CC2)cc1Cl

InChI Key: InChIKey=MYOCPRVGDUQUFZ-RWYGWLOXSA-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 = 482370   
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))
BDBM482370
PNG
(US10919852, Compound TABLE 1.69 | US11708326, Comp...)
Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN2CCC(C)(O)CC2)cc1Cl |r|
Show InChI InChI=1S/C44H51ClN4O5/c1-30-35(6-4-9-40(30)52-21-5-16-48-17-12-34(50)13-18-48)36-7-3-8-38-37(36)10-11-41(38)54-43-24-42(53-29-32-22-31(25-46)26-47-27-32)33(23-39(43)45)28-49-19-14-44(2,51)15-20-49/h3-4,6-9,22-24,26-27,34,41,50-51H,5,10-21,28-29H2,1-2H3/t41-/m0/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)
BDBM482370
PNG
(US10919852, Compound TABLE 1.69 | US11708326, Comp...)
Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN2CCC(C)(O)CC2)cc1Cl |r|
Show InChI InChI=1S/C44H51ClN4O5/c1-30-35(6-4-9-40(30)52-21-5-16-48-17-12-34(50)13-18-48)36-7-3-8-38-37(36)10-11-41(38)54-43-24-42(53-29-32-22-31(25-46)26-47-27-32)33(23-39(43)45)28-49-19-14-44(2,51)15-20-49/h3-4,6-9,22-24,26-27,34,41,50-51H,5,10-21,28-29H2,1-2H3/t41-/m0/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