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Compile Data Set for Download or QSAR

Found 322 hits with Last Name = 'ying' and Initial = 'h'   
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 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575561
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CNCC1(O)CC1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNCC3(O)CC3)cn2)c1C
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n/an/a 0.0320n/an/an/an/an/an/a


TBA

Assay Description
The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575599
PNG
((1s,1's,3s,3's)-3,3'-((((((2,2'- dimethyl-[1,1'-bi...)
Show SMILES COc1cc(ncc1CN[C@H]1C[C@H](C1)C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H]3C[C@H](C3)C(O)=O)cn2)c1C |r,wU:43.45,10.10,45.50,12.15,(11.34,-1.92,;11.34,-.38,;10,.39,;8.67,-.38,;7.34,.39,;7.34,1.93,;8.67,2.7,;10,1.93,;11.34,2.7,;12.67,1.93,;14,2.7,;14.4,4.18,;15.89,3.78,;15.49,2.3,;17.22,4.55,;18.56,3.78,;17.22,6.09,;6,-.38,;6,-1.92,;4.67,.39,;3.33,-.38,;3.33,-1.92,;2,-2.69,;.67,-1.92,;.67,-.38,;2,.39,;2,1.93,;-.67,.39,;-.67,1.93,;-2,2.7,;-3.33,1.93,;-3.33,.39,;-4.67,-.38,;-6,.39,;-6,1.93,;-7.34,-.38,;-8.67,.39,;-10,-.38,;-11.34,.39,;-11.34,1.93,;-10,-1.92,;-11.34,-2.69,;-12.67,-1.92,;-14,-2.7,;-14.4,-4.18,;-15.89,-3.78,;-15.49,-2.3,;-17.22,-4.55,;-18.56,-3.78,;-17.22,-6.09,;-8.67,-2.69,;-7.34,-1.92,;-2,-.38,;-2,-1.92,)|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575553
PNG
(N,N'-(2,2'-dimethyl-[1,1'-biphenyl]- 3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN(C)CCO)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN(C)CCO)cn2)c1C
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n/an/a 0.0400n/an/an/an/an/an/a


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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575483
PNG
(US11459339, Example 2 | US11459339, Example 4)
Show SMILES COC(=O)[C@@H](CO)NCc1cnc(cc1OC)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H](CO)C(=O)OC)cn2)c1C |r|
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n/an/a 0.0640n/an/an/an/an/an/a


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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575498
PNG
(N,N'-(2,2'-dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(...)
Show SMILES COc1cc(ncc1CNCCS(C)(=O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNCCS(C)(=O)=O)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575493
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COCCNCc1cnc(cc1C)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CNCCOC)cn2)c1C
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n/an/a 0.0960n/an/an/an/an/an/a


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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575609
PNG
((2S,2S)-1,1'-(((((2,2'-dimethyl- [1,1'-bipheny]-3,...)
Show SMILES COc1cc(ncc1CN1CCCC[C@H]1C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CCCC[C@H]3C(O)=O)cn2)c1C |r|
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n/an/a 0.120n/an/an/an/an/an/a


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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575505
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES Cc1cc(ncc1CN1CC[C@@H](O)C1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CN3CC[C@@H](O)C3)cn2)c1C |r|
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n/an/a 0.130n/an/an/an/an/an/a


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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575486
PNG
(N,N'-2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis (4...)
Show SMILES COc1cc(ncc1CN[C@H]1COC(=O)C1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H]3COC(=O)C3)cn2)c1C |r|
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n/an/a 0.140n/an/an/an/an/an/a


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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575511
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES CC(=O)NCCNCc1cnc(cc1C)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CNCCNC(C)=O)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575517
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES Cc1cc(ncc1CN[C@H]1CC[C@H](O)CC1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CN[C@H]3CC[C@H](O)CC3)cn2)c1C |r,wU:44.47,12.13,wD:41.43,9.9,(11.34,-.39,;10,.38,;8.67,-.39,;7.34,.38,;7.34,1.92,;8.67,2.69,;10,1.92,;11.34,2.69,;12.67,1.92,;14.21,1.92,;14.98,.59,;16.52,.59,;17.29,1.92,;18.83,1.92,;16.52,3.26,;14.98,3.26,;6,-.39,;6,-1.93,;4.67,.38,;3.33,-.39,;3.33,-1.93,;2,-2.7,;.67,-1.93,;.67,-.39,;2,.38,;2,1.92,;-.67,.38,;-.67,1.92,;-2,2.69,;-3.33,1.92,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.92,;-7.34,-.39,;-8.67,.38,;-10,-.39,;-11.34,.38,;-10,-1.93,;-11.34,-2.7,;-12.67,-1.93,;-14.21,-1.93,;-14.98,-.59,;-16.52,-.59,;-17.29,-1.93,;-18.83,-1.93,;-16.52,-3.26,;-14.98,-3.26,;-8.67,-2.7,;-7.34,-1.93,;-2,-.39,;-2,-1.93,)|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575585
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN[C@@H]1C[C@H](O)C1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@@H]3C[C@H](O)C3)cn2)c1C |r,wU:41.43,43.46,10.10,12.13,(11.34,-1.93,;11.34,-.38,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;12.67,1.93,;14,2.69,;15.49,2.3,;15.89,3.78,;17.22,4.55,;14.4,4.18,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;2,1.93,;-.67,.38,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-3.33,.38,;-4.67,-.38,;-6,.38,;-6,1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-11.34,.38,;-11.34,1.93,;-10,-1.93,;-11.34,-2.69,;-12.67,-1.93,;-14,-2.69,;-15.49,-2.3,;-15.89,-3.78,;-17.22,-4.55,;-14.4,-4.18,;-8.67,-2.69,;-7.34,-1.93,;-2,-.38,;-2,-1.93,)|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575520
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bi...)
Show SMILES Cc1c(NC(=O)c2cc(C3CC3)c(CNCCO)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CNCCO)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575481
PNG
(N,N′-(2,2′-dimethyl-[1,1′-biphen...)
Show SMILES Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CNCCO)cn2)c1C
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n/an/a 0.170n/an/an/an/an/an/a


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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575601
PNG
((2'S)-(((((2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diy...)
Show SMILES COc1cc(ncc1CN1CCC[C@H]1C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CCC[C@H]3C(O)=O)cn2)c1C |r|
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n/an/a 0.180n/an/an/an/an/an/a


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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575483
PNG
(US11459339, Example 2 | US11459339, Example 4)
Show SMILES COC(=O)[C@@H](CO)NCc1cnc(cc1OC)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H](CO)C(=O)OC)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575485
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CNCCO)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNCCO)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575602
PNG
((3R,3'R)-1,1'-(((((2,2'-dimethyl-[1,1'- biphenyl]-...)
Show SMILES Cc1c(NC(=O)c2cc(C3CC3)c(CN3CC[C@H](C3)C(O)=O)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CN3CC[C@H](C3)C(O)=O)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575587
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CNC1COC1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNC3COC3)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575547
PNG
(N,N'-(2,2'-dimethyl-[1,1'-biphenyl]- 3,3'-diyl)bis...)
Show SMILES COCCNCc1cnc(cc1OC)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNCCOC)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575581
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COC1CN(Cc2cnc(cc2OC)C(=O)Nc2cccc(c2C)-c2cccc(NC(=O)c3cc(OC)c(CN4CC(C4)OC)cn3)c2C)C1
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575595
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN1CC2(COC2)C1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CC4(COC4)C3)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575569
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN1CC(O)C1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CC(O)C3)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575567
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bi...)
Show SMILES COc1cc(ncc1CN[C@H]1CCC[C@@H]1O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H]3CCC[C@@H]3O)cn2)c1C |r|
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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575603
PNG
((2S,2'S,4R,4'R)-1,1'-(((((2,2'- dimethyl-[1,1'-bip...)
Show SMILES COc1cc(ncc1CN1C[C@H](O)C[C@H]1C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3C[C@H](O)C[C@H]3C(O)=O)cn2)c1C |r|
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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575571
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN1CC(C)(O)C1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CC(C)(O)C3)cn2)c1C
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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575605
PNG
((3S,3'S)-4,4'(((((2,2'-dimethyl-[1,1'- biphenyl]-3...)
Show SMILES COc1cc(ncc1CN1CCOC[C@H]1C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CCOC[C@H]3C(O)=O)cn2)c1C |r|
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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575573
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN1CC[C@@H](O)C1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CC[C@@H](O)C3)cn2)c1C |r|
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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575548
PNG
((2R,2'R)-2,2'-((((((2,2'-dimethyl-[1,1'- biphenyl]...)
Show SMILES Cc1c(NC(=O)c2cc(C3CC3)c(CN[C@H](CO)C(O)=O)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CN[C@H](CO)C(O)=O)cn2)c1C |r|
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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575543
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES CNCc1cnc(cc1OC)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNC)cn2)c1C
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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575533
PNG
((2S,2'S)-1,1'-(((((2,2'-dimethyl- [1,1'-biphenyl]-...)
Show SMILES Cc1cc(ncc1CN1CCCC[C@H]1C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CN3CCCC[C@H]3C(O)=O)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575523
PNG
(US11459339, Example 22 | dimethyl 2,2'-((((((2,2'-...)
Show SMILES COC(=O)[C@H](CO)NCc1cnc(cc1C)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CN[C@@H](CO)C(=O)OC)cn2)c1C |r|
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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575499
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES Cc1cc(ncc1CNCC1(O)CC1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CNCC3(O)CC3)cn2)c1C
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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575563
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN[C@H](C)CO)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H](C)CO)cn2)c1C |r|
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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575484
PNG
((3S,3'S)-3,3'-((((((2,2'-dimethyl- [1,1'-biphenyl]...)
Show SMILES COc1cc(ncc1CN[C@H](CO)CC(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H](CO)CC(O)=O)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575565
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN[C@@H](C)CO)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@@H](C)CO)cn2)c1C |r|
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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575559
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CNCC(C)(C)O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNCC(C)(C)O)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575575
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN1CC[C@H](O)C1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CC[C@H](O)C3)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575525
PNG
((2S,2'S)-2,2'-((((((2,2'- dimethyl-[1,1'-biphenyl]...)
Show SMILES Cc1cc(ncc1CN[C@@H](CO)C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CN[C@@H](CO)C(O)=O)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575615
PNG
(N,N'-(2,2'-dimethyl-11,1'- biphenyl]-3,3'-diyl)bi...)
Show SMILES COc1cc(ncc1CN[C@H]1CCOC1=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H]3CCOC3=O)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575597
PNG
((3S,3'S)-4,4'-((((((2,2'-dimethyl- [1,1'-biphenyl]...)
Show SMILES COc1cc(ncc1CNC[C@@H](O)CC(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNC[C@@H](O)CC(O)=O)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575608
PNG
((3S,3'S)-4,4'-((((((2,2'-dimethyl-[1,1'- biphenyl]...)
Show SMILES Cc1c(NC(=O)c2cc(C3CC3)c(CNC[C@@H](O)CC(O)=O)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CNC[C@@H](O)CC(O)=O)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575577
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN1CCC(O)CC1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CCC(O)CC3)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575579
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES CO[C@@H]1CCN(Cc2cnc(cc2OC)C(=O)Nc2cccc(c2C)-c2cccc(NC(=O)c3cc(OC)c(CN4CC[C@H](C4)OC)cn3)c2C)C1 |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575621
PNG
((2R,2′R)-2,2′-((((((2,2′-dimethy...)
Show SMILES COc1cc(ncc1CN[C@H](CCO)C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H](CCO)C(O)=O)cn2)c1C |r|
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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575515
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES Cc1cc(ncc1CN[C@@H]1CCOC[C@H]1O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CN[C@@H]3CCOC[C@H]3O)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575518
PNG
(N,N'-(2,2'-dimethyl-[1,1'-biphenyl]- 3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CNCCN=S1(=O)CCCC1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNCCN=S3(=O)CCCC3)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575519
PNG
(US11459339, Example 20 | dimethyl 2,2'-((((((2,2'-...)
Show SMILES COC(=O)[C@@H](CO)NCc1cnc(cc1C)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CN[C@H](CO)C(=O)OC)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575537
PNG
((2R,2'R)-1,1'-(((((2,2'-dimethyl- [1,1'-biphenyl]-...)
Show SMILES Cc1cc(ncc1CN1CCCC[C@@H]1C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(C)c(CN3CCCC[C@@H]3C(O)=O)cn2)c1C |r|
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1


(Homo sapiens-Homo sapiens (Human))
BDBM575593
PNG
(N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...)
Show SMILES COc1cc(ncc1CN1CC2(CCO2)C1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN3CC4(CCO4)C3)cn2)c1C
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The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...


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BindingDB Entry DOI: 10.7270/Q23R0X3N
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Ligand-Target Pair
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