Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50010878   

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))	BDBM50542943 (CHEMBL4646293) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@@H](C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O6/c1-23-28(6-3-7-30(23)26-8-9-32-35(16-26)43-13-12-42-32)22-45-34-17-33(44-21-25-5-2-4-24(14-25)18-38)29(15-31(34)37)20-39-11-10-27(19-39)36(40)41/h2-9,14-17,27H,10-13,19-22H2,1H3,(H,40,41)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542943 (CHEMBL4646293) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@@H](C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O6/c1-23-28(6-3-7-30(23)26-8-9-32-35(16-26)43-13-12-42-32)22-45-34-17-33(44-21-25-5-2-4-24(14-25)18-38)29(15-31(34)37)20-39-11-10-27(19-39)36(40)41/h2-9,14-17,27H,10-13,19-22H2,1H3,(H,40,41)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	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) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542963 (CHEMBL4638650) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](CO)C(O)=O)cc2Cl)cccc1-c1ccccc1 |r| Show InChI InChI=1S/C32H29ClN2O5/c1-21-25(11-6-12-27(21)24-9-3-2-4-10-24)20-40-31-15-30(39-19-23-8-5-7-22(13-23)16-34)26(14-28(31)33)17-35-29(18-36)32(37)38/h2-15,29,35-36H,17-20H2,1H3,(H,37,38)/t29-/m1/s1	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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542964 (CHEMBL4646486) Show SMILES C[C@H](O)[C@@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C33H31ClN2O5/c1-21-26(12-7-13-28(21)25-10-4-3-5-11-25)20-41-31-16-30(40-19-24-9-6-8-23(14-24)17-35)27(15-29(31)34)18-36-32(22(2)37)33(38)39/h3-16,22,32,36-37H,18-20H2,1-2H3,(H,38,39)/t22-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542966 (CHEMBL4635932) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C33H31ClN2O5/c1-21-26(12-7-13-28(21)25-10-4-3-5-11-25)20-41-31-16-30(40-19-24-9-6-8-23(14-24)17-35)27(15-29(31)34)18-36-32(22(2)37)33(38)39/h3-16,22,32,36-37H,18-20H2,1-2H3,(H,38,39)/t22-,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542976 (CHEMBL4636606 | US11535615, Example 1) Show SMILES Cc1c(Nc2cccc3cc(CNCCO)cnc23)cccc1-c1ccccc1 Show InChI InChI=1S/C25H25N3O/c1-18-22(20-7-3-2-4-8-20)10-6-11-23(18)28-24-12-5-9-21-15-19(16-26-13-14-29)17-27-25(21)24/h2-12,15,17,26,28-29H,13-14,16H2,1H3	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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542978 (CHEMBL4648161) Show SMILES Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2ocnc2c1 Show InChI InChI=1S/C33H29ClN4O5/c1-20-23(5-4-6-26(20)22-7-8-29-28(13-22)37-19-43-29)18-42-31-14-30(41-17-21-9-10-36-25(11-21)15-35)24(12-27(31)34)16-38-33(2,3)32(39)40/h4-14,19,38H,16-18H2,1-3H3,(H,39,40)	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
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) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50239948 (CHEMBL4071326 | US9850225, Example 1166) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)C[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542949 (CHEMBL4646667) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@@H](O)C[C@@H]3CO)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H35ClN2O6/c1-23-27(6-3-7-31(23)26-8-9-33-36(14-26)43-11-10-42-33)22-45-35-16-34(44-21-25-5-2-4-24(12-25)17-38)28(13-32(35)37)18-39-19-30(41)15-29(39)20-40/h2-9,12-14,16,29-30,40-41H,10-11,15,18-22H2,1H3/t29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542954 (CHEMBL4639202) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C33H31ClN2O4/c1-22-26(13-8-14-28(22)25-11-5-4-6-12-25)21-40-31-17-30(39-20-24-10-7-9-23(15-24)18-35)27(16-29(31)34)19-36-33(2,3)32(37)38/h4-17,36H,19-21H2,1-3H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542954 (CHEMBL4639202) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C33H31ClN2O4/c1-22-26(13-8-14-28(22)25-11-5-4-6-12-25)21-40-31-17-30(39-20-24-10-7-9-23(15-24)18-35)27(16-29(31)34)19-36-33(2,3)32(37)38/h4-17,36H,19-21H2,1-3H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542952 (CHEMBL4646568) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCC(O)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H33ClN2O5/c1-23-27(6-3-7-30(23)26-8-9-32-35(16-26)41-13-12-40-32)22-43-34-17-33(42-21-25-5-2-4-24(14-25)18-37)28(15-31(34)36)19-38-11-10-29(39)20-38/h2-9,14-17,29,39H,10-13,19-22H2,1H3	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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542965 (CHEMBL4645569) Show SMILES C[C@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C33H31ClN2O5/c1-21-26(12-7-13-28(21)25-10-4-3-5-11-25)20-41-31-16-30(40-19-24-9-6-8-23(14-24)17-35)27(15-29(31)34)18-36-32(22(2)37)33(38)39/h3-16,22,32,36-37H,18-20H2,1-2H3,(H,38,39)/t22-,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542944 (CHEMBL4648149) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@@H](O)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H33ClN2O5/c1-23-27(6-3-7-30(23)26-8-9-32-35(16-26)41-13-12-40-32)22-43-34-17-33(42-21-25-5-2-4-24(14-25)18-37)28(15-31(34)36)19-38-11-10-29(39)20-38/h2-9,14-17,29,39H,10-13,19-22H2,1H3/t29-/m1/s1	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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542945 (CHEMBL4641441) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@H](C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O6/c1-23-28(6-3-7-30(23)26-8-9-32-35(16-26)43-13-12-42-32)22-45-34-17-33(44-21-25-5-2-4-24(14-25)18-38)29(15-31(34)37)20-39-11-10-27(19-39)36(40)41/h2-9,14-17,27H,10-13,19-22H2,1H3,(H,40,41)/t27-/m1/s1	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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542947 (CHEMBL4640374) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H31ClN2O6/c1-22-26(6-3-7-29(22)25-8-9-31-34(14-25)42-11-10-41-31)21-44-33-15-32(43-20-24-5-2-4-23(12-24)16-37)27(13-30(33)36)17-38-18-28(19-38)35(39)40/h2-9,12-15,28H,10-11,17-21H2,1H3,(H,39,40)	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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542951 (CHEMBL4639656) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(O)C(CO)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C36H35ClN2O6/c1-23-27(6-3-7-30(23)26-8-9-33-36(14-26)43-11-10-42-33)22-45-35-15-34(44-21-25-5-2-4-24(12-25)16-38)28(13-31(35)37)17-39-18-29(20-40)32(41)19-39/h2-9,12-15,29,32,40-41H,10-11,17-22H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542930 (CHEMBL4648618) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H33ClN2O6/c1-22-26(8-5-9-28(22)25-10-11-30-33(16-25)42-13-12-41-30)21-44-32-17-31(43-20-24-7-4-6-23(14-24)18-37)27(15-29(32)36)19-38-35(2,3)34(39)40/h4-11,14-17,38H,12-13,19-21H2,1-3H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542934 (CHEMBL4637912) Show SMILES CN(C)CCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N Show InChI InChI=1S/C35H36ClN3O4/c1-24-28(8-5-9-30(24)27-10-11-32-35(18-27)41-15-14-40-32)23-43-34-19-33(42-22-26-7-4-6-25(16-26)20-37)29(17-31(34)36)21-38-12-13-39(2)3/h4-11,16-19,38H,12-15,21-23H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542946 (CHEMBL4644097) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@H](O)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H33ClN2O5/c1-23-27(6-3-7-30(23)26-8-9-32-35(16-26)41-13-12-40-32)22-43-34-17-33(42-21-25-5-2-4-24(14-25)18-37)28(15-31(34)36)19-38-11-10-29(39)20-38/h2-9,14-17,29,39H,10-13,19-22H2,1H3/t29-/m0/s1	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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542935 (CHEMBL4648624) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(O)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C34H31ClN2O5/c1-22-26(6-3-7-29(22)25-8-9-31-34(14-25)40-11-10-39-31)21-42-33-15-32(41-20-24-5-2-4-23(12-24)16-36)27(13-30(33)35)17-37-18-28(38)19-37/h2-9,12-15,28,38H,10-11,17-21H2,1H3	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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542953 (CHEMBL4641122) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(C3)C(O)=O)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C33H29ClN2O4/c1-22-26(11-6-12-29(22)25-9-3-2-4-10-25)21-40-32-15-31(39-20-24-8-5-7-23(13-24)16-35)27(14-30(32)34)17-36-18-28(19-36)33(37)38/h2-15,28H,17-21H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542940 (CHEMBL4639047) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCNC(=O)OC(C)(C)C)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C38H40ClN3O6/c1-25-29(9-6-10-31(25)28-11-12-33-36(19-28)45-16-15-44-33)24-47-35-20-34(46-23-27-8-5-7-26(17-27)21-40)30(18-32(35)39)22-41-13-14-42-37(43)48-38(2,3)4/h5-12,17-20,41H,13-16,22-24H2,1-4H3,(H,42,43)	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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					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	61	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50524206 (CHEMBL4586685) Show SMILES Cc1c(NC(=O)c2cc(CNCCO)cn3cnnc23)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C25H25N5O4/c1-16-19(18-5-6-22-23(12-18)34-10-9-33-22)3-2-4-21(16)28-25(32)20-11-17(13-26-7-8-31)14-30-15-27-29-24(20)30/h2-6,11-12,14-15,26,31H,7-10,13H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542974 (CHEMBL4644889) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCCC3C(O)=O)cc2Cl)cccc1-c1ccncc1 Show InChI InChI=1S/C34H32ClN3O4/c1-23-27(8-5-9-29(23)26-11-13-37-14-12-26)22-42-33-18-32(41-21-25-7-4-6-24(16-25)19-36)28(17-30(33)35)20-38-15-3-2-10-31(38)34(39)40/h4-9,11-14,16-18,31H,2-3,10,15,20-22H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542975 (CHEMBL4644846) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCO)cc2Cl)cccc1-c1ccncc1 Show InChI InChI=1S/C30H28ClN3O3/c1-21-25(6-3-7-27(21)24-8-10-33-11-9-24)20-37-30-16-29(26(15-28(30)31)18-34-12-13-35)36-19-23-5-2-4-22(14-23)17-32/h2-11,14-16,34-35H,12-13,18-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542973 (CHEMBL4643215) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccncc1 Show InChI InChI=1S/C32H30ClN3O4/c1-21-25(8-5-9-27(21)24-10-12-35-13-11-24)20-40-30-16-29(39-19-23-7-4-6-22(14-23)17-34)26(15-28(30)33)18-36-32(2,3)31(37)38/h4-16,36H,18-20H2,1-3H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	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) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542942 (CHEMBL4644581) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCC(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C33H29ClN2O6/c1-21-25(6-3-7-27(21)24-8-9-29-32(14-24)40-11-10-39-29)20-42-31-15-30(26(13-28(31)34)17-36-18-33(37)38)41-19-23-5-2-4-22(12-23)16-35/h2-9,12-15,36H,10-11,17-20H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542948 (CHEMBL4648574) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCN)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C33H32ClN3O4/c1-22-26(6-3-7-28(22)25-8-9-30-33(16-25)39-13-12-38-30)21-41-32-17-31(27(15-29(32)34)19-37-11-10-35)40-20-24-5-2-4-23(14-24)18-36/h2-9,14-17,37H,10-13,19-21,35H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542950 (CHEMBL4637630) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)[C@@H](F)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H32ClFN2O5/c1-22-26(6-3-7-28(22)25-8-9-32-35(14-25)42-11-10-41-32)21-44-34-15-33(43-20-24-5-2-4-23(12-24)16-38)27(13-29(34)36)17-39-18-30(37)31(40)19-39/h2-9,12-15,30-31,40H,10-11,17-21H2,1H3/t30-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542955 (CHEMBL4634811) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)[C@@H](F)C3)cc2Cl)cccc1-c1ccccc1 |r| Show InChI InChI=1S/C33H30ClFN2O3/c1-22-26(11-6-12-28(22)25-9-3-2-4-10-25)21-40-33-15-32(39-20-24-8-5-7-23(13-24)16-36)27(14-29(33)34)17-37-18-30(35)31(38)19-37/h2-15,30-31,38H,17-21H2,1H3/t30-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542956 (CHEMBL4639895) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(C)(O)C3)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C33H31ClN2O3/c1-23-27(12-7-13-29(23)26-10-4-3-5-11-26)20-39-32-16-31(38-19-25-9-6-8-24(14-25)17-35)28(15-30(32)34)18-36-21-33(2,37)22-36/h3-16,37H,18-22H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542957 (CHEMBL4641838) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(O)C3)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C32H29ClN2O3/c1-22-26(11-6-12-29(22)25-9-3-2-4-10-25)21-38-32-15-31(37-20-24-8-5-7-23(13-24)16-34)27(14-30(32)33)17-35-18-28(36)19-35/h2-15,28,36H,17-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542958 (CHEMBL4646312) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1cccnc1 |r| Show InChI InChI=1S/C34H32ClN3O4/c1-23-27(9-5-11-29(23)26-10-6-13-37-19-26)22-42-33-17-32(41-21-25-8-4-7-24(15-25)18-36)28(16-30(33)35)20-38-14-3-2-12-31(38)34(39)40/h4-11,13,15-17,19,31H,2-3,12,14,20-22H2,1H3,(H,39,40)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542959 (CHEMBL4646151) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@@H](O)C[C@H]3C(O)=O)cc2Cl)cccc1-c1cccnc1 |r| Show InChI InChI=1S/C33H30ClN3O5/c1-21-25(7-3-9-28(21)24-8-4-10-36-16-24)20-42-32-14-31(41-19-23-6-2-5-22(11-23)15-35)26(12-29(32)34)17-37-18-27(38)13-30(37)33(39)40/h2-12,14,16,27,30,38H,13,17-20H2,1H3,(H,39,40)/t27-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542960 (CHEMBL4637536) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1cncnc1 |r| Show InChI InChI=1S/C33H31ClN4O4/c1-22-25(8-5-9-28(22)27-16-36-21-37-17-27)20-42-32-14-31(41-19-24-7-4-6-23(12-24)15-35)26(13-29(32)34)18-38-11-3-2-10-30(38)33(39)40/h4-9,12-14,16-17,21,30H,2-3,10-11,18-20H2,1H3,(H,39,40)/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542961 (CHEMBL4649522) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@@H](O)C[C@H]3C(O)=O)cc2Cl)cccc1-c1cncnc1 |r| Show InChI InChI=1S/C32H29ClN4O5/c1-20-23(6-3-7-27(20)25-13-35-19-36-14-25)18-42-31-11-30(41-17-22-5-2-4-21(8-22)12-34)24(9-28(31)33)15-37-16-26(38)10-29(37)32(39)40/h2-9,11,13-14,19,26,29,38H,10,15-18H2,1H3,(H,39,40)/t26-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542962 (CHEMBL4649775) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(\C=N\C(CS)C(O)=O)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C32H27ClN2O4S/c1-21-25(11-6-12-27(21)24-9-3-2-4-10-24)19-39-31-15-30(38-18-23-8-5-7-22(13-23)16-34)26(14-28(31)33)17-35-29(20-40)32(36)37/h2-15,17,29,40H,18-20H2,1H3,(H,36,37)/b35-17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542967 (CHEMBL4638444) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccncc1 Show InChI InChI=1S/C34H32ClN3O4/c1-23-27(8-5-9-29(23)26-11-13-37-14-12-26)22-42-33-18-32(41-21-25-7-4-6-24(16-25)19-36)28(17-30(33)35)20-38-15-3-2-10-31(38)34(39)40/h4-9,11-14,16-18,31H,2-3,10,15,20-22H2,1H3,(H,39,40)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542968 (CHEMBL4649565) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@@H](O)C[C@H]3C(O)=O)cc2Cl)cccc1-c1ccncc1 |r| Show InChI InChI=1S/C33H30ClN3O5/c1-21-25(6-3-7-28(21)24-8-10-36-11-9-24)20-42-32-15-31(41-19-23-5-2-4-22(12-23)16-35)26(13-29(32)34)17-37-18-27(38)14-30(37)33(39)40/h2-13,15,27,30,38H,14,17-20H2,1H3,(H,39,40)/t27-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542969 (CHEMBL4634500) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](CO)C(O)=O)cc2Cl)cccc1-c1ccncc1 |r| Show InChI InChI=1S/C31H28ClN3O5/c1-20-24(6-3-7-26(20)23-8-10-34-11-9-23)19-40-30-14-29(39-18-22-5-2-4-21(12-22)15-33)25(13-27(30)32)16-35-28(17-36)31(37)38/h2-14,28,35-36H,16-19H2,1H3,(H,37,38)/t28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542970 (CHEMBL4648480) Show SMILES C[C@H](O)[C@@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccncc2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C32H30ClN3O5/c1-20-25(7-4-8-27(20)24-9-11-35-12-10-24)19-41-30-15-29(40-18-23-6-3-5-22(13-23)16-34)26(14-28(30)33)17-36-31(21(2)37)32(38)39/h3-15,21,31,36-37H,17-19H2,1-2H3,(H,38,39)/t21-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542971 (CHEMBL4637999) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccncc1 |r| Show InChI InChI=1S/C34H32ClN3O4/c1-23-27(8-5-9-29(23)26-11-13-37-14-12-26)22-42-33-18-32(41-21-25-7-4-6-24(16-25)19-36)28(17-30(33)35)20-38-15-3-2-10-31(38)34(39)40/h4-9,11-14,16-18,31H,2-3,10,15,20-22H2,1H3,(H,39,40)/t31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542972 (CHEMBL4648391) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](CO)C(O)=O)cc2Cl)cccc1-c1ccncc1 |r| Show InChI InChI=1S/C31H28ClN3O5/c1-20-24(6-3-7-26(20)23-8-10-34-11-9-23)19-40-30-14-29(39-18-22-5-2-4-21(12-22)15-33)25(13-27(30)32)16-35-28(17-36)31(37)38/h2-14,28,35-36H,16-19H2,1H3,(H,37,38)/t28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542973 (CHEMBL4643215) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccncc1 Show InChI InChI=1S/C32H30ClN3O4/c1-21-25(8-5-9-27(21)24-10-12-35-13-11-24)20-40-30-16-29(39-19-23-7-4-6-22(14-23)17-34)26(15-28(30)33)18-36-32(2,3)31(37)38/h4-16,36H,18-20H2,1-3H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542979 (CHEMBL4638536) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)C(O)=O)cc2Cl)cccc1-c1cnc2ccccc2n1 Show InChI InChI=1S/C34H30ClN5O5/c1-21-24(6-5-7-26(21)30-17-38-28-8-3-4-9-29(28)40-30)19-45-32-12-31(44-18-23-10-22(13-36)14-37-15-23)25(11-27(32)35)16-39-34(2,20-41)33(42)43/h3-12,14-15,17,39,41H,16,18-20H2,1-2H3,(H,42,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	119	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) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50239943 (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	Purchase CHEMBL MCE 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
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) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542938 (CHEMBL4649236) Show SMILES CN1CCN(Cc2cc(Cl)c(OCc3cccc(c3C)-c3ccc4OCCOc4c3)cc2OCc2cccc(c2)C#N)CC1 Show InChI InChI=1S/C36H36ClN3O4/c1-25-29(7-4-8-31(25)28-9-10-33-36(19-28)42-16-15-41-33)24-44-35-20-34(43-23-27-6-3-5-26(17-27)21-38)30(18-32(35)37)22-40-13-11-39(2)12-14-40/h3-10,17-20H,11-16,22-24H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542939 (CHEMBL4646181) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCNCC3)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H34ClN3O4/c1-24-28(6-3-7-30(24)27-8-9-32-35(18-27)41-15-14-40-32)23-43-34-19-33(42-22-26-5-2-4-25(16-26)20-37)29(17-31(34)36)21-39-12-10-38-11-13-39/h2-9,16-19,38H,10-15,21-23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair

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