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BDBM50542968 CHEMBL4649565

SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@@H](O)C[C@H]3C(O)=O)cc2Cl)cccc1-c1ccncc1

InChI Key: InChIKey=GZOBEOMYSCNLOR-FIBWVYCGSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50542968   
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))		BDBM50542968
PNG
(CHEMBL4649565)
Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@@H](O)C[C@H]3C(O)=O)cc2Cl)cccc1-c1ccncc1 |r|
Show InChI InChI=1S/C33H30ClN3O5/c1-21-25(6-3-7-28(21)24-8-10-36-11-9-24)20-42-32-15-31(41-19-23-5-2-4-22(12-23)16-35)26(13-29(32)34)17-37-18-27(38)14-30(37)33(39)40/h2-13,15,27,30,38H,14,17-20H2,1H3,(H,39,40)/t27-,30-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>100n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay

J Med Chem 63: 8338-8358 (2020)

More data for this
Ligand-Target Pair