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BDBM50542978 CHEMBL4648161

SMILES: Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2ocnc2c1

InChI Key: InChIKey=YNDCUGNUOSQEJG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50542978   
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
PD-1/PD-L1


(Homo sapiens-Homo sapiens (Human))
BDBM50542978
PNG
(CHEMBL4648161)
Show SMILES Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2ocnc2c1
Show InChI InChI=1S/C33H29ClN4O5/c1-20-23(5-4-6-26(20)22-7-8-29-28(13-22)37-19-43-29)18-42-31-14-30(41-17-21-9-10-36-25(11-21)15-35)24(12-27(31)34)16-38-33(2,3)32(39)40/h4-14,19,38H,16-18H2,1-3H3,(H,39,40)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal Ig-Fc-tagged PD1 (Leu25 to Gln167 residues) expressed in HEK293 cells/human C-terminal epitope-His-tagged PDL1 (Phe19 ...


J Med Chem 63: 8338-8358 (2020)

More data for this
Ligand-Target Pair