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BDBM50542934 CHEMBL4637912

SMILES: CN(C)CCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N

InChI Key: InChIKey=CZBLCWRHUVVYLZ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50542934   
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))		BDBM50542934
PNG
(CHEMBL4637912)
Show SMILES CN(C)CCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N
Show InChI InChI=1S/C35H36ClN3O4/c1-24-28(8-5-9-30(24)27-10-11-32-35(18-27)41-15-14-40-32)23-43-34-19-33(42-22-26-7-4-6-25(16-26)20-37)29(17-31(34)36)21-38-12-13-39(2)3/h4-11,16-19,38H,12-15,21-23H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PubMed
n/an/a 26n/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