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SMILES: Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](CCCNC(N)=N)C(O)=O)cc2Cl)cccc1-c1ccc2occc2c1

InChI Key: InChIKey=HDEITTXSTJRYCM-HKBQPEDESA-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 1 hit for monomerid = 436122   
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 protein 1


(Homo sapiens)		BDBM436122
PNG
(US10590105, Example 1014)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](CCCNC(N)=N)C(O)=O)cc2Cl)cccc1-c1ccc2occc2c1 |r|
Show InChI InChI=1S/C36H35ClN6O5/c1-22-27(4-2-5-29(22)25-7-8-32-26(13-25)9-11-46-32)21-48-34-15-33(47-20-24-12-23(16-38)17-41-18-24)28(14-30(34)37)19-43-31(35(44)45)6-3-10-42-36(39)40/h2,4-5,7-9,11-15,17-18,31,43H,3,6,10,19-21H2,1H3,(H,44,45)(H4,39,40,42)/t31-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+3n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...

US Patent US10590105 (2020)


BindingDB Entry DOI: 10.7270/Q2ST7SVD
More data for this
Ligand-Target Pair