Found 21 hits with Last Name = 'scaglia' and Initial = 'r' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582862
(CHEMBL5081456)Show SMILES Cc1c(COc2ccc(CN3CCCC[C@H]3C(=O)NCCN)c(OCc3cccc(c3)C#N)c2)cccc1-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PD-1/PDL-1 (unknown origin) binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582861
(CHEMBL5093056)Show SMILES Cc1c(COc2ccc(CN[C@H](CO)C(O)=O)c(OCc3cncc(c3)C#N)n2)cccc1-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PD-1/PDL-1 (unknown origin) binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582860
(CHEMBL5078455)Show SMILES OC(=O)[C@@H]1CCCCN1Cc1ccc(OCc2cccc(c2Br)-c2ccccc2)c(Br)c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PD-1/PDL-1 (unknown origin) binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50239947
(CHEMBL4089730 | US20230303494, Compound BMS202 | U...)Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PD-1/PDL-1 (unknown origin) binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50239947
(CHEMBL4089730 | US20230303494, Compound BMS202 | U...)Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582859
(CHEMBL5072370)Show SMILES Cc1c(COc2ccc(CNCCO)n3cnnc23)cccc1-c1ccc2OCCOc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PD-1/PDL-1 (unknown origin) binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582867
(CHEMBL5085181) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582863
(CHEMBL5080368)Show SMILES COc1cc(ccc1CNCCO)C(=O)N1CCC2C1C=CC=C2c1ccccc1 |c:22,24| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PD-1/PDL-1 (unknown origin) binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582871
(CHEMBL5085083)Show SMILES Cc1c(COc2ncnc(NCCNS(C)(=O)=O)n2)cccc1-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 241 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582873
(CHEMBL5074988)Show SMILES CC(=O)NCCNc1nc(Cl)nc(OCc2cccc(c2C)-c2ccccc2)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 315 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582872
(CHEMBL5084079)Show SMILES Cc1c(COc2ncnc(NCCS(N)(=O)=O)n2)cccc1-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 551 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582875
(CHEMBL5091203)Show SMILES COc1nc(NCCNC(C)=O)nc(OCc2cccc(c2C)-c2ccccc2)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582870
(CHEMBL5084981)Show SMILES CC(=O)NCCCNc1ncnc(OCc2cccc(c2C)-c2ccccc2)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582868
(CHEMBL5076880)Show SMILES COC(=O)[C@H](Cc1c[nH]cn1)Nc1ncnc(OCc2cccc(c2C)-c2ccccc2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582877
(CHEMBL5079393)Show SMILES CC(C)(C)OC(=O)NCCNc1nc(OCc2ccccc2)nc(n1)N1CCC[C@H]1C(=O)NCc1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582866
(CHEMBL5092459)Show SMILES Cc1c(COc2nc(N[C@@H](Cc3c[nH]cn3)C(O)=O)nc(OCc3cccc(c3)C#N)n2)cccc1-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582865
(CHEMBL5077456)Show SMILES COC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(OCc2cccc(c2)C#N)nc(OCc2cccc(c2C)-c2ccccc2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582874
(CHEMBL5085687)Show SMILES CC(=O)NCCNc1nc(O)nc(OCc2cccc(c2C)-c2ccccc2)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582864
(CHEMBL5079605)Show SMILES CC(=O)NCCNc1nc(OCc2cccc(c2)C#N)nc(OCc2cccc(c2C)-c2ccccc2)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582876
(CHEMBL5079917)Show SMILES CC(=O)NCCNc1nc(C)nc(OCc2cccc(c2C)-c2ccccc2)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human)) | BDBM50582869
(CHEMBL5080895)Show SMILES Cc1c(COc2ncnc(N[C@@H](Cc3c[nH]cn3)C(O)=O)n2)cccc1-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW |
More data for this
Ligand-Target Pair | |
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