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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 [25-167,N33K], Immunoglobulin heavy constant gamma 1 [99-330,C104S,C109S,C112S,L118I,P121S]/Programmed cell death 1 ligand 1 [18-239,H172E]' and Ligand = 'BDBM412137'   
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 [25-167,N33K], Immunoglobulin heavy constant gamma 1 [99-330,C104S,C109S,C112S,L118I,P121S]/Programmed cell death 1 ligand 1 [18-239,H172E]


(Homo sapiens (Human))		BDBM412137
PNG
(US10392405, Compound Id 1.001 | US11059834, Compou...)
Show SMILES COc1cccc(c1F)-c1cccc(COc2cc3OCc4cncc(c4)C(=O)NCCCC[C@H](NCc3cc2Cl)C(O)=O)c1C |r|
Show InChI InChI=1S/C35H35ClFN3O6/c1-21-23(7-5-8-26(21)27-9-6-11-30(44-2)33(27)37)20-46-32-15-31-24(14-28(32)36)18-40-29(35(42)43)10-3-4-12-39-34(41)25-13-22(19-45-31)16-38-17-25/h5-9,11,13-17,29,40H,3-4,10,12,18-20H2,1-2H3,(H,39,41)(H,42,43)/t29-/m0/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
96 Well plates were coated with 1 μg/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2F192VF
More data for this
Ligand-Target Pair