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BDBM50542970 CHEMBL4648480

SMILES: C[C@H](O)[C@@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccncc2)cc1OCc1cccc(c1)C#N)C(O)=O

InChI Key: InChIKey=PDMIFPMCNKQXIB-JCOAXYOVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50542970   
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))		BDBM50542970
PNG
(CHEMBL4648480)
Show SMILES C[C@H](O)[C@@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccncc2)cc1OCc1cccc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C32H30ClN3O5/c1-20-25(7-4-8-27(20)24-9-11-35-12-10-24)19-41-30-15-29(40-18-23-6-3-5-22(13-23)16-34)26(14-28(30)33)17-36-31(21(2)37)32(38)39/h3-15,21,31,36-37H,17-19H2,1-2H3,(H,38,39)/t21-,31+/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