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SMILES: Cc1c(COc2cc3OCc4cncc(c4)C(=O)NCCNC(=O)[C@H](CO)NCc3cc2Cl)cccc1-c1ccccc1

InChI Key: InChIKey=DIVOZEFXJDQJLX-LJAQVGFWSA-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 = 412142   
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 [18-239,H172E]/protein 1 [25-167,N33K],P01857[99-330,C104S,C109S,C112S,L118I,P121S]


(Homo sapiens (Human))
BDBM412142
PNG
(US10392405, Compound Id 1.006 | US11059834, Compou...)
Show SMILES Cc1c(COc2cc3OCc4cncc(c4)C(=O)NCCNC(=O)[C@H](CO)NCc3cc2Cl)cccc1-c1ccccc1 |r|
Show InChI InChI=1S/C33H33ClN4O5/c1-21-24(8-5-9-27(21)23-6-3-2-4-7-23)20-43-31-14-30-25(13-28(31)34)17-38-29(18-39)33(41)37-11-10-36-32(40)26-12-22(19-42-30)15-35-16-26/h2-9,12-16,29,38-39H,10-11,17-20H2,1H3,(H,36,40)(H,37,41)/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/a 300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM412142
PNG
(US10392405, Compound Id 1.006 | US11059834, Compou...)
Show SMILES Cc1c(COc2cc3OCc4cncc(c4)C(=O)NCCNC(=O)[C@H](CO)NCc3cc2Cl)cccc1-c1ccccc1 |r|
Show InChI InChI=1S/C33H33ClN4O5/c1-21-24(8-5-9-27(21)23-6-3-2-4-7-23)20-43-31-14-30-25(13-28(31)34)17-38-29(18-39)33(41)37-11-10-36-32(40)26-12-22(19-42-30)15-35-16-26/h2-9,12-16,29,38-39H,10-11,17-20H2,1H3,(H,36,40)(H,37,41)/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in ...


US Patent US10392405 (2019)


BindingDB Entry DOI: 10.7270/Q2057J9N
More data for this
Ligand-Target Pair