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SMILES: C[C@H]1CCCN1Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3scnc3c2)cc1OCc1cncc(c1)C#N

InChI Key: InChIKey=VWYVOXOWFNZXJT-QFIPXVFZSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 436136   
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)		BDBM436136
PNG
(US10590105, Example 1023)
Show SMILES C[C@H]1CCCN1Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3scnc3c2)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C34H31ClN4O2S/c1-22-5-4-10-39(22)18-28-12-30(35)33(14-32(28)40-19-25-11-24(15-36)16-37-17-25)41-20-27-6-3-7-29(23(27)2)26-8-9-34-31(13-26)38-21-42-34/h3,6-9,11-14,16-17,21-22H,4-5,10,18-20H2,1-2H3/t22-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 80n/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