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SMILES: Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2nccnc2c1

InChI Key: InChIKey=ZPCKOICHPNUGPA-UMSFTDKQSA-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 = 436150   
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)		BDBM436150
PNG
(US10590105, Example 1036)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2nccnc2c1 |r|
Show InChI InChI=1S/C34H30ClN5O5/c1-21-25(4-3-5-27(21)24-6-7-29-30(12-24)39-9-8-38-29)19-45-32-13-31(44-18-23-10-22(14-36)15-37-16-23)26(11-28(32)35)17-40-34(2,20-41)33(42)43/h3-13,15-16,40-41H,17-20H2,1-2H3,(H,42,43)/t34-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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