Found 9 hits for monomerid = 50239943 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239943
![PNG](/data/jpeg/tenK5023/BindingDB_50239943.png) (CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description 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 ... |
J Med Chem 60: 5857-5867 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00293 BindingDB Entry DOI: 10.7270/Q2765HHP |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239943
![PNG](/data/jpeg/tenK5023/BindingDB_50239943.png) (CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
| Assay Description All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe... |
J Med Chem 51: 4-16 (2008)
BindingDB Entry DOI: 10.7270/Q2RN3B42 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50239943
![PNG](/data/jpeg/tenK5023/BindingDB_50239943.png) (CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa
Curated by ChEMBL
| Assay Description Inhibition of PD-L1 (unknown origin) |
J Med Chem 61: 10957-10975 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00541 BindingDB Entry DOI: 10.7270/Q2PZ5CHN |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
PD-1/PD-L1
(Homo sapiens-Homo sapiens (Human)) | BDBM50239943
![PNG](/data/jpeg/tenK5023/BindingDB_50239943.png) (CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PD1/PDL1 interaction (unknown origin) after 15 mins by HTRF assay |
J Med Chem 62: 1715-1730 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00990 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
PD-1/PD-L1
(Homo sapiens-Homo sapiens (Human)) | BDBM50239943
![PNG](/data/jpeg/tenK5023/BindingDB_50239943.png) (CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
PD-1/PD-L1
(Homo sapiens-Homo sapiens (Human)) | BDBM50239943
![PNG](/data/jpeg/tenK5023/BindingDB_50239943.png) (CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Medical University
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal Ig-Fc-tagged PD1 (Leu25 to Gln167 residues) expressed in HEK293 cells/human C-terminal epitope-His-tagged PDL1 (Phe19 ... |
J Med Chem 63: 8338-8358 (2020)
|
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
PD-1/PD-L1
(Homo sapiens-Homo sapiens (Human)) | BDBM50239943
![PNG](/data/jpeg/tenK5023/BindingDB_50239943.png) (CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
PD-1/PD-L1
(Homo sapiens-Homo sapiens (Human)) | BDBM50239943
![PNG](/data/jpeg/tenK5023/BindingDB_50239943.png) (CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
PD-1/PD-L1
(Homo sapiens-Homo sapiens (Human)) | BDBM50239943
![PNG](/data/jpeg/tenK5023/BindingDB_50239943.png) (CHEMBL4099869 | US9872852, Example 8)Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of Ig-tagged human PD1/His-tagged human PDL1 interaction incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 29: 2464-2467 (2019)
Article DOI: 10.1016/j.bmcl.2019.07.027 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |