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SMILES: Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2ccoc2c1

InChI Key: InChIKey=KDQJAOPIRUZOHL-UUWRZZSWSA-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 = 436128   
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)		BDBM436128
PNG
(US10590105, Example 1019)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2ccoc2c1 |r|
Show InChI InChI=1S/C34H30ClN3O6/c1-21-26(4-3-5-28(21)25-7-6-24-8-9-42-30(24)12-25)19-44-32-13-31(43-18-23-10-22(14-36)15-37-16-23)27(11-29(32)35)17-38-34(2,20-39)33(40)41/h3-13,15-16,38-39H,17-20H2,1-2H3,(H,40,41)/t34-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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