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Target
Programmed cell death protein 1
Ligand
BDBM436160
Substrate
n/a
Meas. Tech.
Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay
IC50
5000±n/a nM
Citation
 Yeung, K; Grant-Young, KA; Zhu, J; Saulnier, MG; Frennesson, DB; Meng, Z; Scola, PM 1,3-dihydroxy-phenyl derivatives useful as immunomodulators US Patent  US10590105 Publication Date 3/17/2020 
Target
Name:
Programmed cell death protein 1
Synonyms:
CD_antigen=CD279 | PD1 | PDCD1 | PDCD1_HUMAN | Programmed cell death protein 1 | Protein PD-1 | hPD-1
Type:
PROTEIN
Mol. Mass.:
31650.07
Organism:
Homo sapiens
Description:
ChEMBL_108437
Residue:
288
Sequence:
MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL
  
Inhibitor
Name:
BDBM436160
Synonyms:
US10590105, Example 2003
Type:
Small organic molecule
Emp. Form.:
C39H47ClN6O6
Mol. Mass.:
731.28
SMILES:
Cc1nn(CCCCN2CC[C@H](O)C2)c(C)c1-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)c1C |r,wU:40.42,wD:11.11,40.43,(6.22,-5.78,;4.75,-6.26,;4.28,-7.72,;2.74,-7.72,;1.83,-8.97,;2.46,-10.38,;1.55,-11.62,;2.18,-13.03,;1.27,-14.28,;1.75,-15.74,;.5,-16.65,;-.74,-15.74,;-2.21,-16.22,;-.27,-14.28,;2.26,-6.26,;.8,-5.78,;3.51,-5.35,;3.51,-3.81,;4.84,-3.04,;4.84,-1.5,;3.51,-.73,;2.17,-1.5,;.84,-.73,;.84,.81,;-.5,1.58,;-.5,3.12,;-1.83,3.89,;-1.83,5.43,;-3.16,6.2,;-3.16,7.74,;-1.83,8.51,;-1.83,10.05,;-3.16,10.82,;-4.5,10.05,;-4.5,8.51,;-5.83,10.82,;-7.16,11.59,;-3.16,3.12,;-4.5,3.89,;-4.5,5.43,;-5.83,6.2,;-6.6,4.86,;-5.06,7.53,;-5.83,8.86,;-7.16,6.97,;-7.16,8.51,;-8.5,6.2,;-3.16,1.58,;-1.83,.81,;-1.83,-.73,;2.17,-3.04,;.84,-3.81,)|
Structure:
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