Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50014911   

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))	BDBM50581093 (CHEMBL5077644) Show SMILES C[C@@H](O)[C@H](NCc1cc(c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)[N+]([O-])=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581098 (CHEMBL5075026) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCO)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581108 (CHEMBL5088674) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@H]3C(=O)N3CCC[C@H]3C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581106 (CHEMBL5082629) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@H]3C(=O)NCC(C)(C)O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581095 (CHEMBL5078895) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581099 (CHEMBL5093703) Show SMILES CN(CC(O)=O)Cc1cc(c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581097 (CHEMBL5070574) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(CO)CO)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581107 (CHEMBL5093193) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@H]3C(=O)N[C@@H](CO)C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581096 (CHEMBL5078627) Show SMILES CC(=O)NCCNCc1cc(c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581102 (CHEMBL5090961) Show SMILES Cc1c(COc2cc(OCc3cccnc3)c(CN3CCCC[C@H]3C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581073 (CHEMBL5086947) Show SMILES Cc1c(COc2ccc(CN3CCCC[C@H]3C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581064 (CHEMBL5088877) Show SMILES Cc1c(COc2ccc(CNC(CO)CO)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581103 (CHEMBL5086842) Show SMILES Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN[C@@H](CO)C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581104 (CHEMBL5090423) Show SMILES C[C@@H](O)[C@H](NCc1cc(c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1ccnc(c1)C#N)[N+]([O-])=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581105 (CHEMBL5085480) Show SMILES Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581084 (CHEMBL5091096) Show SMILES CN(CC(O)CO)C(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581062 (CHEMBL5070280) Show SMILES Cc1c(COc2ccc(CNCCO)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	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 human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581089 (CHEMBL5079769) Show SMILES Cc1c(COc2ccc(CN3CCCC[C@H]3C(=O)N[C@@H](CO)C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	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 human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581087 (CHEMBL5079965) Show SMILES Cc1c(COc2ccc(CN3CCCC[C@H]3C(=O)NCC(C)(C)O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	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 human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581061 (CHEMBL5088075) Show SMILES CC(=O)NCCNCc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581092 (CHEMBL5076672) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](CO)C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581088 (CHEMBL5089603) Show SMILES C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581091 (CHEMBL5075125) Show SMILES Cc1c(COc2ccc(CN3CCCC[C@H]3C(=O)N3CCC[C@H]3C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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 human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581101 (CHEMBL5078434) Show SMILES C[C@@H](O)[C@H](NCc1cc(c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccnc1)[N+]([O-])=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581076 (CHEMBL5081137) Show SMILES CSCC[C@H](NCc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581100 (CHEMBL5069616) Show SMILES Cc1c(COc2cc(OCc3cccnc3)c(CN[C@@H](CO)C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581063 (CHEMBL5088395) Show SMILES Cc1c(COc2ccc(CN(CCO)CCO)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581074 (CHEMBL5087912) Show SMILES CN(CC(O)=O)Cc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581094 (CHEMBL5076258) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCC[C@H]3C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581090 (CHEMBL5076811) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581070 (CHEMBL5083333) Show SMILES Cc1c(COc2ccc(CN[C@@H](CO)C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581069 (CHEMBL5087009) Show SMILES Cc1c(COc2ccc(CNCCCNC(CO)CO)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM363082 ((S)-2-((2-((3-cyanobenzyl)oxy)-4-((2-methyl-[1,1&#...) Show SMILES Cc1c(COc2ccc(CN[C@@H](CO)C(O)=O)c(OCc3cccc(c3)C#N)c2)cccc1-c1ccccc1 |r| Show InChI InChI=1S/C32H30N2O5/c1-22-27(11-6-12-29(22)25-9-3-2-4-10-25)21-38-28-14-13-26(18-34-30(19-35)32(36)37)31(16-28)39-20-24-8-5-7-23(15-24)17-33/h2-16,30,34-35H,18-21H2,1H3,(H,36,37)/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581068 (CHEMBL5082152) Show SMILES CN(C)CCNCc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581075 (CHEMBL5087276) Show SMILES Cc1c(COc2ccc(CNCCC(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581072 (CHEMBL5075548) Show SMILES Cc1c(COc2ccc(CN3CCC[C@H]3C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581065 (CHEMBL5081766) Show SMILES Cc1c(COc2ccc(CNCC(C)(C)O)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581081 (CHEMBL5079387) Show SMILES Cc1c(COc2ccc(CN3CCC[C@H]3C(=O)NC(C)(CO)CO)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581083 (CHEMBL5075873) Show SMILES CC(=O)NCCNC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581080 (CHEMBL5074624) Show SMILES Cc1c(COc2ccc(CN3CCC[C@H]3C(=O)NCCO)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581086 (CHEMBL5076449) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581071 (CHEMBL5093473) Show SMILES C[C@@H](O)[C@H](NCc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581082 (CHEMBL5081130) Show SMILES C[C@@H](CO)NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					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	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581079 (CHEMBL5077377) Show SMILES Cc1c(COc2ccc(CN3CCC[C@H]3C(=O)NCC(C)(C)O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581085 (CHEMBL5086472) Show SMILES Cc1c(COc2ccc(CN3CCC[C@H]3C(=O)N[C@@H](CO)C(O)=O)cc2[N+]([O-])=O)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581078 (CHEMBL5091380) Show SMILES CCC(CO)(CO)NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(c2C)-c2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581067 (CHEMBL5080056) Show SMILES Cc1c(COc2ccc(CNCc3ccoc3)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581066 (CHEMBL5075822) Show SMILES Cc1c(COc2ccc(CNC(C)(CO)CO)cc2[N+]([O-])=O)cccc1-c1ccccc1 Show InChI	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 human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50581077 (CHEMBL5089199) Show SMILES C[C@@H](O)[C@H](NCc1ccc(OCc2cccc(c2Br)-c2ccccc2)c(c1)[N+]([O-])=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based H...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00370 BindingDB Entry DOI: 10.7270/Q2K93CD2
					More data for this Ligand-Target Pair