BDBM50227275 PD-117558
BDBM50366632 PD-170292
BDBM50230684 CHEMBL353157 PD-135118
BDBM50565138 CHEMBL595227 PD-404182
CHEMBL2062146 BDBM50451028 PD-149164
CHEMBL2062154 BDBM50449787 PD-134308
CHEMBL535139 PD-123177 BDBM50370405
PD-0184264 BDBM50595935 CHEMBL481949
PD-128907 BDBM50369174 CHEMBL94015
PD-150606 CHEMBL366254 BDBM50466172
(S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one BDBM50070514 PD-18126 CHEMBL37170 PD-172938 3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one (PD-18126)
1-(2,6-Diisopropyl-phenyl)-3-(1-phenyl-cyclopentylmethyl)-urea BDBM50038526 PD-129337 CHEMBL296055
BDBM50164088 [Pd(CN)4]2- CHEMBL362447
BDBM689140 US12049474, Compound NP-PD-042
BDBM689141 US12049474, Compound NP-PD-051
BDBM689142 US12049474, Compound NP-PD-102
BDBM689145 US12049474, Compound NP-PD-149
BDBM689147 US12049474, Compound NP-PD-130
PD-137342 CHEMBL2062144 CI-988 BDBM50422043
US12049474, Compound NP-PD-105 BDBM689143
US12049474, Compound NP-PD-158 BDBM689146
BDBM50080296 PD-32577 2-(1-azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-hydroxyphenyl]-1-methylethyl}phenol CHEMBL421719
6,11-dihydrothiochromeno[4,3-b]indole PD-146176 BDBM50208823 CHEMBL180917
CHEMBL157422 BDBM50281610 PD-135478 1-(4-Phenyl-cyclohex-3-enyl)-4-pyridin-2-yl-piperazine
N-Cyclohexyl-N-methyl-2-[2-(2-pyrrolidin-1-yl-ethoxy)-naphthalen-1-yl]-acetamide BDBM50281660 CHEMBL353654 PD-148282
BDBM50092154 3-[2-(2-Adamantan-2-yl-acetylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-4-phenyl-butyric acid(PD 140458) PD-140458 CHEMBL420320
BDBM50281605 1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine PD-135188 CHEMBL157087
BDBM50281607 PD-135222 1-Pyridin-2-yl-4-(4-pyridin-2-yl-cyclohex-3-enyl)-piperazine CHEMBL422187
BDBM50281608 CHEMBL349994 1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enylmethyl)-piperazine PD-135146
CHEMBL353264 PD-146884 2-Oxa-7,10-diaza-bicyclo[11.3.1]heptadeca-1(17),13,15-trien-11-one BDBM50281661
PD-157667 BDBM50071611 CHEMBL78017 6-Azepan-1-ylmethyl-2-(4,4-diphenyl-butyl)-1,2,3,4-tetrahydro-isoquinolin-5-ol
CHEMBL35093 (R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one BDBM50070518 PD-172939
PD-110843 AD-810 Zonegran BDBM50028010 CI-912 CHEBI:10127 Zonisamide
5-(8-Hydroxy-7-piperidin-1-ylmethyl-isoquinolin-5-ylmethyl)-7-piperidin-1-ylmethyl-quinolin-8-ol BDBM50071612 PD-29361 CHEMBL312381
BDBM50055724 CHEMBL418937 1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyridin-2-yl-piperazine PD-137789
BDBM50281606 1-[2-((R)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyridin-2-yl-piperazine PD-137821 CHEMBL348547
BDBM82039 8-{4-[N-(3-Dimethylaminopropyl)-sulfonamido]phenyl}-1,3-Dipropylxanthine (PD 113,297)
BDBM50281609 CHEMBL346075 1-Pyridin-2-yl-4-[2-(4-pyridin-2-yl-cyclohex-3-enyl)-ethyl]-piperazine PD-135540
CHEMBL346940 PD-135111 BDBM50281611 1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
PD-160946 [(R)-2-(2-Fluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester BDBM50050652 CHEMBL47146
PD-161182 [(R)-2-(2,3-Difluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester BDBM50050641 CHEMBL45340
6-(4-Amino-benzenesulfonyl)-5-nitro-quinolin-8-ylamine BDBM50287526 CHEMBL53016 PD-9262
PD-140195 4-Phenyl-5-tridecyl-4H-[1,2,4]triazole-3-thiol CHEMBL61135 BDBM50287670
PD-160170 CHEMBL422942 6-(2-Isopropyl-benzenesulfonyl)-5-nitro-quinolin-8-ylamine BDBM50287527
CHEMBL105442 US8575391, 341 CI-1040 BDBM50132260 PD-18435 PD-184352 2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluoro-benzamide 2-(2-chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-phenyl)-prop-2-ynyl]-oxime BDBM50065223 PD-151832 CHEMBL81878
CHEMBL78406 Thiophene-2-carboxylic acid {4-[2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide PD-137557 BDBM50290229
CHEMBL170603 BDBM50281662 PD-146795 2-Benzofuran-4-yl-N-(tetrahydro-pyrrolizin-7a-ylmethyl)-acetamide
CHEMBL455856 BDBM50266362 PD-068235 (Z)-N-(3-allyl-5-nitrothiazol-2(3H)-ylidene)pivalamide
CHEMBL45244 BDBM50058225 N-((4-(2-cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide PD-168077 N-[4-(2-Cyano-phenyl)-piperazin-1-ylmethyl]-3-methyl-benzamide
PD-123319 BDBM50282396 CHEMBL157946 (S)-1-(4-Dimethylamino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CHEMBL282833 N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-diphenyl-acetamide(PD85639) BDBM50043993 PD-85639 N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-diphenyl-acetamide
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- ChEMBL_2378263 Inhibition of PD-1/PD-L1 (unknown origin) interaction incubated for 15 mins by HTRF assay
- ChEMBL_2378396 Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 24 hrs by HTRF assay
- ChEMBL_2423595 Inhibition of PD-1/PD-L1 (unknown origin) interaction incubated for 15 mins by HTRF assay
- ChEMBL_2441564 Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 15 min by HTRF assay
- ChEMBL_2184689 (CHEMBL5096771) Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 1 to 24 hrs by HTRF assay
- ChEMBL_2184686 (CHEMBL5096768) Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 15 mins by HTRF assay
- ChEMBL_2332862 Inhibition of human PD-1/PD-L1 interaction overexpressed in human HEK293T cells by flow cytometry analysis
- ChEMBL_2378265 Inhibition of PD-1/PD-L1 (unknown origin) interaction incubated for 2 hr by TR-FRET assay
- ChEMBL_2378272 Inhibition of human PD-1/PD-L1 interaction overexpressed in human HEK293T cells by flow cytometry analysis
- ChEMBL_2460174 Inhibition of PD-1/PD-L1 (unknown origin) interaction expressed in human HEK293T cells by HTRF analysis
- ChEMBL_2485930 Inhibition of human PD-1 to PD-L1 protein-protein interaction by homogeneous-time resolved fluorescence assay
- ChEMBL_2110972 (CHEMBL4819822) Inhibition of PD-1/PD-L1 interaction in CHO cells expressing PD-Ll/TCR cocultured with human Jurkat cells expressing PD-1 assessed as activation of effector Jurkat T cells incubated for 6 hrs by luciferase reporter gene assay
- ChEMBL_2360356 Inhibition of PD-I/PD-L1 interaction (unknown origin) by ELISA
- ChEMBL_2184695 (CHEMBL5096777) Inhibition of recombinant human PD-1/PD-L1 interaction incubated for 40 mins by HTRF binding assay
- ChEMBL_2314396 Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 105 mins by HTRF assay
- ChEMBL_2432493 Inhibition of His-tagged PD-1/PD-L1 (unknown origin) interaction incubated for 15 mins by HTRF assay
- ChEMBL_2460167 Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction expressed in HEK293 cells by HTRF method
- ChEMBL_2489288 Inhibition of Fc-tagged recombinant human PD-1/His-tagged recombinant human PD-L1 interaction by ALPHA assay
- ChEMBL_2489290 Inhibition of biotinylated PD-1/His-tagged PD-L1 (unknown origin) incubated for 60 mins by ALPHA assay
- ChEMBL_2156092 (CHEMBL5040752) Inhibition of PD-1/PDL-1 (unknown origin) binding
- ChEMBL_2360369 Inhibition of PD-I/PD-L1 interaction (unknown origin) by HTRF assay
- ChEMBL_2184693 (CHEMBL5096775) Inhibition of His-tagged PD-1/PD-L1 interaction (unknown origin) incubated for 1 to 4 hrs by HTRF binding assay
- ChEMBL_2332855 Inhibition of PD-1/His-tagged PD-L1 (unknown origin) protein-protein interaction incubated for 90 mins by AlphaLISA
- ChEMBL_2356351 Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by TR-FRET assay
- ChEMBL_2360490 Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by TR-FRET assay
- ChEMBL_2378275 Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by TR-FRET assay
- ChEMBL_2477238 Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by TR-FRET assay
- ChEMBL_2148569 (CHEMBL5032967) Inhibition of human PD-1/PD-L1 interaction in human Jurkat cells expressing PD-1/NFAT/Luc cocultured with CHO-K1 cells expressing PD-L1/aAPC assessed as Jurkat T-lymphocyte activation measured after 6 hrs by luciferase reporter gene based luminescence assay
- ChEMBL_2360350 Inhibition of PD-I/PD-L2 interaction (unknown origin) expressed in HEK293 cells
- ChEMBL_2265318 Inhibition of human PD-1/PDL1 protein-protein interaction
- ChEMBL_2450078 Inhibition of human recombinant PD-1 by HTRF analysis
- ChEMBL_2432196 Inhibition of PD-1/PD-L1 (unknown origin) interaction assessed as inhibition rate incubated for 1 hr by HTRF assay relative to control
- ChEMBL_2307873 Inhibition of PD-1 Fc IgG fusion protein binding to PD-L1 in human NCI-H460 cells incubated for 6 hrs by DAPI/PD-1 anti-human IgG DyLight 488 staining based fluorescence microscopy
- ChEMBL_2148560 (CHEMBL5032958) Inhibition of human PD-1/PD-L1 interaction assessed as blockade activity incubated for 15 mins by HTRF assay
- ChEMBL_2206838 (CHEMBL5119546) Inhibition of human recombinant PD-1/PD-L1 interaction preincubated with compound for 2 hrs followed by PD-1 protein addition and measured after 1.5 hrs by inhibitor screening ELISA assay pair kit method
- ChEMBL_2241722 (CHEMBL5155932) Inhibition of Tag2-PD-1/Tag1-PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by HTRF assay
- ChEMBL_2206839 (CHEMBL5119547) Inhibition of mouse recombinant PD-1/PD-L1 interaction preincubated with compound for 2 hrs followed by PD-1 protein addition and measured after 1.5 hrs by by inhibitor screening ELISA assay pair kit method
- ChEMBL_2069507 (CHEMBL4724760) Inhibition of human PD-1/PDL1 by HTRF assay
- ChEMBL_2083843 (CHEMBL4739634) Antagonist activity at human PD1/PD-L1 preincubated with PD-L1 for 1 hr followed by incubation with PD1 for 1 hr by ELISA
- ChEMBL_2341287 Inhibition of GST-tagged PD-1 (unknown origin)/His-tagged PD-L1 (unknown origin) interaction by HTRF binding assay relative to control
- ChEMBL_2360351 Inhibition of PD-I/PD-L2 interaction (unknown origin) expressed in human MDA-MB-23 cells
- ChEMBL_2378268 Inhibition of human PD-L1/PD-L1 interaction incubated for 15 mins by TR-FRET assay
- ChEMBL_2069506 (CHEMBL4724759) Inhibition of PD-1/PDL1 (unknown origin) by HTRF assay
- ChEMBL_2169505 (CHEMBL5054564) Inhibition of PD-1/PDL1 protein-protein interaction (unknown origin)
- PD-1/PD-L1 NFA T Reporter Assay Compounds were tested in a functional co-culture reporter assay in which TCR-mediated NFAT activity is inhibited by the engagement of PD-1 with PD-L1. Blocking the PD-1/PD-L1 interaction impairs PD-1 mediated blunting of TCR signaling and significantly increases NFAT-mediated transcription of luciferase. CHO cells expressing surface-bound anti-CD3 antibodies and PD-L1 (artificial antigen presenting cells, aAPC-PD-L1) were first seeded overnight. Jurkat cells overexpressing PD-1 and expressing a luciferase construct under NFAT control are diluted in RPMI assay medium (RPMI 1640 with 2% FBS), mixed with compounds, and immediately seeded on the monolayer of aAPC-PD-L1. The co-culture is then incubated for 6 hrs at 37° C. Luciferase activity is assessed by adding the ONE-Glo reagent and measuring luminescence with a plate reader. EC50 values are calculated from the fit of the dose-response curves to a four-parameter equation.
- ChEMBL_2281190 Inhibition of PD-L1 (unknown origin)
- ChEMBL_2164099 (CHEMBL5048960) Inhibition of PD-1/PD-L1 (unknown origin) interaction pre-incubated for 15 mins and measured after 90 mins by TR-FRET assay
- ChEMBL_2327513 Inhibition of His-tagged PD-1 (unknown origin)/hFc-tagged PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by HTRF assay
- ChEMBL_2327512 Inhibition of C-terminal 3S-IG-tagged recombinant human PD-1 (25 to 167 residues)/C-terminal 6xHis-tagged recombinant human PD-L1 (18 to 239 residues) expressed in HEK293T cells protein-protein interaction preincubated with PD-L1 for 15 mins followed by PD-1 addition measured after 15 mins by HTRF assay
- ChEMBL_2360352 Inhibition of PD-I/PD-L1 interaction (unknown origin) incubated for 15 mins by TR-FRET assay
- ChEMBL_2156093 (CHEMBL5040753) Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay
- ChEMBL_2320908 Inhibition of human PD-1/PDL1 interaction incubated for 1 hr by HTRF assay
- ChEMBL_2028153 (CHEMBL4682311) Inhibition of PD-1/PDL1 interaction (unknown origin) by HTRF assay
- ChEMBL_2265317 Inhibition of human PD-1/PDL1 protein-protein interaction by HTRF assay
- ChEMBL_2434121 Inhibition of PD-1/PDL1 interaction (unknown origin) in by HTRF assay
- Binding of PD-1 to PD-L1 Using Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay. 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 PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 μl of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 μl of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium cryptate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 μl was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD80-His/PD-L1-Ig (100 & 10 nM, respectively).
- ChEMBL_1791472 (CHEMBL4263391) Inhibition of PD-L1 (unknown origin)
- ChEMBL_2184684 (CHEMBL5096766) Inhibition of PD-L1 (unknown origin)
- ChEMBL_2265320 Binding affinity to human PD-1 assessed as dissociation constant by SPR assay
- ChEMBL_2265321 Inhibition of human PD-1/PDL1 protein-protein interaction by TR-FRET assay
- ChEMBL_2273447 Inhibition of human PD-1 expressed in rat PBMCs/human PD-L1 expressed in MDA-MB-231 cells protein-protein interaction assessed as increase in PBMCs proliferation
- ChEMBL_2360371 Inhibition of recombinant human PD-1 (33 to 150 residues)/recombinant human PD-L1 (18 to 134 residues) expressed Escherichia coli BL21 (DE3) cells by HTFR assay
- ChEMBL_2360354 Inhibition of Fc-fused recombinant human PD-I/His-tagged recombinant human PD-L1 interaction incubated overnight by HTRF assay
- ChEMBL_2127477 (CHEMBL4836822) Inhibition of PD-1/PD-L1 interaction in human Jurkat cells cocultured with CHO cells expressing PD-Ll/TCRAct assessed as activation of effector Jurkat cells incubated for 6 hrs by luciferase reporter gene based immune checkpoint blockade cell-based assay
- Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay 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 PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 μl of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 μl of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 μl was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD80-His/PD-L1-Ig (100 & 10 nM, respectively).
- Homogenous Time-Resolved Fluorescence (HTRF) binding assay 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 PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 μl of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 μl of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 μl was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD8O-His/PD-L1-Ig (100 & 10 nM, respectively).
- ChEMBL_2102732 (CHEMBL4811128) Inhibition of PD1/PD-L1 (unknown origin)
- Homogeneous time resolved fluorescence (HTRF) The identified compounds were tested for their capacity to inhibit the PD-1/PD-L1 interaction using in vitro functional assays. Homogeneous time resolved fluorescence (HTRF) was used to evaluate those 94 hits identified in silico. The BMS202 inhibitor, known as a small-molecule inhibitor of PD-1/PD-L1 interaction, was used as a reference. Compounds were tested at 100 μM and the determination of the inhibition levels was based on the HTRF signal reduction. Hits were defined as compounds that inhibited at least 50% of the PD-1/PD-L1 interaction.
- ChEMBL_2088599 (CHEMBL4769862) Inhibition of PD-1/PDL1 protein-protein interaction (unknown origin) by HTRF assay
- ChEMBL_2169504 (CHEMBL5054563) Inhibition of PD-1/PDL1 protein-protein interaction (unknown origin) by HTRF assay
- ChEMBL_2265319 Inhibition of human PD-1/PDL1 protein-protein interaction by luminescence proximity homogeneous assay
- ChEMBL_2249588 (CHEMBL5163798) Inhibition of biotinylated tagged PD-1 (unknown origin)/His tagged PD-L1 (unknown origin) protein-protein interaction assessed as inhibition constant incubated for 90 mins by AlphaLISA assay
- ChEMBL_2487935 Inhibition of Eu-tagged PD-1 (unknown origin)/C-terminal Fc fusion (human IgG1)/Avi-tagged biotinylated human PDL1 (19 to 239 residues) extracted from HEK293 cells interaction preincubated for 15 mins with PD-L1 followed by PD-1 addition and measured after 90 mins by TR-FRET assay
- ChEMBL_2051342 (CHEMBL4706041) Inhibition of PD-1/PDL1 (unknown origin) measured after 2 hrs by HTRF assay
- ChEMBL_2083844 (CHEMBL4739635) Antagonist activity at PD1/PD-L1 (unknown origin)
- ChEMBL_2378261 Inhibition of PD-L1 (unknown origin) by HTRF assay
- ChEMBL_2432487 Inhibition of PD-L1 (unknown origin) by HTRF assay
- ChEMBL_2360357 Inhibition of biotinylated human PD-I /His-tagged PD-L1 (unknown origin) interaction incubated for 90 mins in dark condition by AlphaLISA assay
- ChEMBL_2157805 (CHEMBL5042465) Inhibition of PD-1/PDL-1 (unknown origin) interaction incubated for 15 mins by TR-FRET assay
- ChEMBL_2455069 Inhibition of interaction of PD-1 (unknown origin) expressed in Jurkat T cells co-transfected with NFAT response element/PD-L1 (unknown origin) expressed in CHO-K1 cells by reporter bioassay
- Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay 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 PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15m in 4 μl of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 μ1 of assay buffer and further incubation for 15m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 μl was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD8O-His/PD-L1-Ig (100 & 10 nM, respectively). Recombinant Proteins: Human PD-1 (25-167) with a C-terminal human Fc domain of immunoglobulin G (Ig) epitope tag [hPD-1 (25-167)-3S-IG] and human PD-L1 (18-239) with a C-terminal His epitope tag [hPD-L1(18-239)-TVMV-His] were expressed in HEK293T cells and purified sequentially by ProteinA affinity chromatography and size exclusion chromatography. Human PD-L2-His and CD8O-His was obtained through commercial sources.
- Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay 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 PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15m in 4 μl of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 μl of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 μl was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 60 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 2 nM, respectively) and CD80-His/PD-L1-Ig (100 & 10 nM, respectively).Recombinant Proteins: Human PD-1 (25-167) with a C-terminal human Fc domain of immunoglobulin G (Ig) epitope tag [hPD-1 (25-167)-3S-IG] and human PD-L1 (18-239) with a C-terminal His epitope tag [hPD-L1(18-239)-TVMV-His] were expressed in HEK293T cells and purified sequentially by ProteinA affinity chromatography and size exclusion chromatography. Human PD-L2-His and CD80-His was obtained through commercial sources.
- ChEMBL_1667595 (CHEMBL4017391) Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed by addition of PD1-Ig measured after 15 mins by HTRF assay
- ChEMBL_2184680 (CHEMBL5096762) Inhibition of PD-L1 (unknown origin) by HTRF assay
- ChEMBL_2109284 (CHEMBL4817959) Inhibition of Tag2-PD-1/Tag1-PDL-1 (unknown origin) interaction incubated for 15 mins by TR-FRET assay
- ChEMBL_2169506 (CHEMBL5054565) Inhibition of human PD-1/PDL1 protein-protein interaction measured after 30 mins by HTRF assay
- ChEMBL_2360367 Inhibition of human recombinant extracellular domain PD-L1 in human DU-145 cells incubated for 1 hr
- Inhibitory Activity Assay 1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Principles and Methods of PD-1/PD-L1 Small Molecule Inhibitors1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody are combined with the above two label proteins respectively. After laser excitation, energy can be transferred from donor Eu to receptor XL665, allowing XL665 to glow. After adding inhibitors (compounds or antibodies), blocking the binding of PD-1 and PD-L1 makes the distance between Eu and XL665 far away, the energy can not be transferred, and XL665 does not glow.2) Experimental method: The specific method can be referred to Cisbio's PD-1/PD-L1 Kit (item 64CUS000C-2). Reagents should be dispensed in the following order. For 384-well white ELISA plate, 2 μl of diluent or target compound diluted with diluent was added to each well, and then 4 μl of PD-1 protein and 4 μl of PD-L1 protein were added per well, incubated for 15 min at room temperature; and 10 μl of a mixture of anti-Tag1-Eu3+ and anti-Tag2-XL665 was added per well and incubated for 1 h to 4 h at room temperature and the fluorescence signals at 665 nm and 620 nm were measured with an Envison instrument. HTRF rate=(665 nm/620 nm)*104. 8-10 concentrations were detected for each compound and IC50 was calculated by Graphpad software.
- ChEMBL_2051372 (CHEMBL4706071) Binding affinity to human PD-L1 by surface plasmon resonance
- ChEMBL_2051373 (CHEMBL4706072) Binding affinity to mouse PD-L1 by surface plasmon resonance
- In Vitro Activity Assay In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Principles and Methods of PD-1/PD-L1 Small Molecule Inhibitors1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody are combined with the above two label proteins respectively. After laser excitation, energy can be transferred from donor Eu to receptor XL665, allowing XL665 to glow. After adding inhibitors (compounds or antibodies), blocking the binding of PD-1 and PD-L1 makes the distance between Eu and XL665 far away, the energy can not be transferred, and XL665 does not glow.2) Experimental method: The specific method can be referred to Cisbio's PD-1/PD-L1 Kit (item 64CUS000C-2). Reagents should be dispensed in the following order. For 384-well white ELISA plate, 2 μl of diluent or target compound diluted with diluent was added to each well, and then 4 μl of PD-1 protein and 4 μl of PD-L1 protein were added per well, incubated for 15 min at room temperature; and 10 μl of a mixture of anti-Tag1-Eu3+ and anti-Tag2-XL665 was added per well and incubated for 1 h to 4 h at room temperature and the fluorescence signals at 665 nm and 620 nm were measured with an Envison instrument. HTRF rate=(665 nm/620 nm)*104. 8-10 concentrations were detected for each compound and IC50 was calculated by Graphpad software.
- Homogenous Time-Resolved Fluorescence (HTRF) Assays Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins with carboxyl-end truncations that remove the transmembrane-spanning regions and are fused to heterologous sequences, specifically the Fc portion of the human immunoglobuling G sequence (Ig) or the hexahistidine epitope tag (His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (w/v) bovine serum albumin and 0.05% (v/v) Tween-20. For the PD-1-Ig/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15m in 4 μl of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 μl of assay buffer and further incubation for 15 m. PD-L1 fusion proteins from either human, cynomologous macaques, mouse, or other species were used. HTRF detection was achieved using europium crypate-labeled anti-Ig monoclonal antibody (1 nM final) and allophycocyanin (APC) labeled anti-His monoclonal antibody (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 μl was dispensed on top of binding reaction. The reaction was allowed to equilibrate for 30 minutes and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between PD-1-Ig/PD-L2-His (20 and 5 nM, respectively), CD80-His/PD-L1-Ig (100 and 10 nM, respectively) and CD80-His/CTLA4-Ig (10 and 5 nM, respectively).
- ChEMBL_2489302 Induction of internalization of PD-L1 (unknown origin) expressed in CHO-K1 cells assessed as reduction in surface PD-L1 expression incubated for 16 hrs by flow cytometry
- ChEMBL_2480574 Inhibition of PD-1/PD-L1 interaction in human Jurkat T cells co-cultured with CHO/TCRAct/PDL1 cells assessed as restoration of T cell activation measured for 6 hrs by luminescence based immune checkpoint blockade assay
- ChEMBL_2051370 (CHEMBL4706069) Binding affinity to human PD-L1 by isothermal titration calorimetric analysis
- ChEMBL_2051371 (CHEMBL4706070) Binding affinity to mouse PD-L1 by isothermal titration calorimetric analysis
- ChEMBL_2358445 Inhibition of human PD-L1 incubated for 15 mins by ELISA method
- ChEMBL_2378271 Inhibition of human PD-L1 expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by TR-FRET assay
- Homogenous Time-Resolved Fluorescence (HTRF) Binding Assays The ability of the macrocyclic peptides of the present disclosure to bind to PD-L1 was investigated using a PD-1/PD-L1 Homogenous Time-Resolved Fluorescence (HTRF) binding assay.MethodsHomogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins with carboxyl-end truncations that remove the transmembrane-spanning regions and are fused to heterologous sequences, specifically the Fc portion of the human immunoglobuling G sequence (Ig) or the hexahistidine epitope tag (His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (w/v) bovine serum albumin and 0.05% (v/v) Tween-20. For the PD-1-Ig/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15m in 4 μl of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 μl of assay buffer and further incubation for 15 m. PD-L1 fusion proteins from either human, cynomologous macaques, mouse, or other species were used. HTRF detection was achieved using europium crypate-labeled anti-Ig monoclonal antibody (1 nM final) and allophycocyanin (APC) labeled anti-His monoclonal antibody (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 μl was dispensed on top of binding reaction. The reaction was allowed to equilibrate for 30 minutes and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between PD-1-Ig/PD-L2-His (20 and 5 nM, respectively), CD8O-His/PD-L1-Ig (100 and 10 nM, respectively) and CD80-His/CTLA4-Ig (10 and 5 nM, respectively). Binding/competition studies between biotinylated Compound No. 71 and human PD-L1-His were performed as follows. Macrocyclic peptide inhibitors were pre-incubated with PD-L1-His (10 nM final) for 60 minutes in 4 μl of assay buffer followed by addition of biotinylated Compound No. 71 (0.5 nM final) in 1 μl of assay buffer. Binding was allowed to equilibrate for 30 minutes followed by addition of europium crypated labeled Streptavidin (2.5 pM final) and APC-labeled anti-His (20 nM final) in 5 μl of HTRF buffer. The reaction was allowed to equilibrate for 30 m and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer.
- ChEMBL_2184681 (CHEMBL5096763) Binding affinity to human recombinant PD-L1 by surface plasmon resonance assay
- ChEMBL_2273453 Inhibition of PD-L1 in mouse splenocytes assessed as increase in INFgamma release
- ChEMBL_2273454 Inhibition of PD-L1 in human PBMCs assessed as increase in INFgamma production
- ChEMBL_2273455 Inhibition of PD-L2 in human PBMCs assessed as increase in INFgamma production
- ChEMBL_2273457 Inhibition of PD-L2 in mouse splenocytes assessed as increase in INFgamma production
- ChEMBL_2307871 Binding affinity to human PD-L1 assessed as dissociation constant by MST analysis
- ChEMBL_2341288 Binding affinity to human PD-L1 assessed as dissociation constant by SPR analysis
- ChEMBL_2341289 Binding affinity to mouse PD-L1 assessed as dissociation constant by SPR analysis
- ChEMBL_2341290 Binding affinity to mouse PD-L1 assessed as dissociation constant by MST analysis
- ChEMBL_2432491 Inhibition of PD-L1 (unknown origin) incubated for 15 mins by HTRF assay
- ChEMBL_2017415 (CHEMBL4670993) Inhibition of hPD-1/hPD-L1 immune checkpoint using PD-L1 expressing human aAPCs and PD-1 expressing human Jurkat cells assessed as activation of effector Jurkat T cells incubated for 6 hrs by luciferase reporter gene based immune checkpoint blockade cell-based assay
- Homogeneous Time-Resolved Fluorescence (HTRF) PD1/PD-L1 binding assay kit (Cisbio, Cat #63ADK000CPDEC) was used, which includes two proteins, Tag 1-PD-L1 and Tag 2-PD-1, and two antibodies, Anti-Tag1-Eu3+ and Anti-Tag2-XL 665. Assay principle: Anti-tag1-Eu3+ is the HTRF donor, and Anti-Tag2-XL 665 is the HTRF acceptor. When Tag 1-PD-L1 and Tag 2-PD-1 interact, the added HTRF donor and the acceptor are close to each other. After the donor receives the excitation energy, it transfers part of the energy to the acceptor, thus producing 665 nm emission signal. When the compound is added to block the PD1/PD-L1 interaction, only 620 nm emission light was detected. The inhibitory effect of the compound was determined by analyzing the ratio of 665 nm/620 nm. Tag 1-PD-L1 was diluted with Diluent buffer (cat #62DLBDDF) to a working concentration of 10 nM, Tag 2-PD-1 was diluted with Diluent buffer to a working concentration of 500 nM, and Anti-Tag1-Eu3+ was diluted with detection buffer (cat #62DB1FDG) by 1:100, Anti-Tag2-XL 665 was diluted with detection buffer by 1:20, and the test compound was diluted with Diluent buffer to a final concentration of 2×. In a 384-well plate, 2 μL of compound was added to each well, and then 4 μL of Tag 1-PD-L1, 4 μL of Tag 2-PD-1 were added and incubated at room temperature for 15 minutes.
- ChEMBL_2368518 Inhibition of interaction of Fc(IgG1)-Avi)-(Biotin)-fused human PDL1 (19 to 239 residues)/Eu-labeled human PD-1 (25 to 167 residues) expressed in HEK293 cells pretreated with PDL1 for 15 mins followed by PD-1 addition and measured after 90 mins by TR-FRET assay
- ChEMBL_2330952 Inhibition of POLQ PD (unknown origin) (1819 to 2590 residues) by fluorescence based analysis
- ChEMBL_2357141 Binding affinity to PD-L1 (unknown origin) assessed as dissociation constant by SPR analysis
- ChEMBL_2432212 Binding affinity to recombinant human PD-L1 expressed in HEK293 cells by SPR analysis
- ChEMBL_2445173 Binding affinity to PD-L1 (unknown origin) assessed as dissociation constant by SPR analysis
- ChEMBL_2485932 Binding affinity to recombinant human PD-L1 expressed in HEK293 cells by MST assay
- ChEMBL_40191 (CHEMBL652238) Inhibition of binding of [125I]-PD 142251 to CCK-B receptor was determined
- ChEMBL_40192 (CHEMBL652239) Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined
- ChEMBL_40217 (CHEMBL653063) Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined
- ChEMBL_2294203 Inhibition of C-terminal his tagged human PD-1/human Fc tagged PDL-1 interaction expressed in HEK293 cells incubated for 2 hrs AlphaScreen assay
- PD-1/PD-L1 Homogenous Time-Resolved Fluorescence (HTRF) binding assay Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins with carboxyl-end truncations that remove the transmembrane-spanning regions and are fused to heterologous sequences, specifically the Fc portion of the human immunoglobuling G sequence (Ig) or the hexahistidine epitope tag (His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (w/v) bovine serum albumin and 0.05% (v/v) Tween-20. For the PD-1-Ig/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 μl of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 μl of assay buffer and further incubation for 15 m. PD-L1 fusion proteins from either human, cynomologous macaques, mouse, or other species were used. HTRF detection was achieved using europium crypate-labeled anti-Ig monoclonal antibody (1 nM final) and allophycocyanin (APC) labeled anti-His monoclonal antibody (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 μl was dispensed on top of binding reaction. The reaction was allowed to equilibrate for 30 minutes and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between PD-1-Ig/PD-L2-His (20 and 5 nM, respectively), CD80-His/PD-L1-Ig (100 and 10 nM, respectively) and CD80-His/CTLA4-Ig (10 and 5 nM, respectively). Binding/competition studies between biotinylated Compound No. 71 and human PD-L1-His were performed as follows. Macrocyclic peptide inhibitors were pre-incubated with PD-L1-His (10 nM final) for 60 minutes in 4 μl of assay buffer followed by addition of biotinylated Compound No. 71 (0.5 nM final) in 1 μl of assay buffer. Binding was allowed to equilibrate for 30 minutes followed by addition of europium crypated labeled Streptavidin (2.5 pM final) and APC-labeled anti-His (20 nM final) in 5 μl of HTRF buffer. The reaction was allowed to equilibrate for 30 m and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer.
- ChEMBL_2356356 Binding affinity to recombinant human PD-L1 (1 to 238 residues) expressed in HEK293 cells assessed as dissociation constant by SPR analysis
- ChEMBL_2378260 Inhibition of human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by spectrophometric analysis