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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM436168'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Programmed cell death protein 1


(Homo sapiens)		BDBM436168
PNG
(US10590105, Example 2011)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)nccc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C |r|
Show InChI InChI=1S/C41H46ClN5O6/c1-27-34(33-7-5-9-38(28(33)2)51-16-6-13-46-15-11-32(48)24-46)10-12-45-36(27)26-53-40-19-39(52-25-30-17-29(20-43)21-44-22-30)31(18-35(40)42)23-47-14-4-3-8-37(47)41(49)50/h5,7,9-10,12,17-19,21-22,32,37,48H,3-4,6,8,11,13-16,23-26H2,1-2H3,(H,49,50)/t32-,37+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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