Compile Data Set for Download or QSAR

Found 2761 hits of ic50 data for polymerid = 50006891   

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))	BDBM363393 (N-(2-(4-(2-cyano-3-(2,3-dihydrobenzo[b][1,4]dioxin...) Show SMILES CC(=O)NCCNCc1cc(C)c(OCc2cccc(-c3ccc4OCCOc4c3)c2C#N)cc1OCc1cncc(c1)C#N Show InChI InChI=1S/C35H33N5O5/c1-23-12-29(20-38-8-9-40-24(2)41)34(44-21-26-13-25(16-36)18-39-19-26)15-33(23)45-22-28-4-3-5-30(31(28)17-37)27-6-7-32-35(14-27)43-11-10-42-32/h3-7,12-15,18-19,38H,8-11,20-22H2,1-2H3,(H,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50587705 (CHEMBL5171101) Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCN(C2)C(=O)[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113170 BindingDB Entry DOI: 10.7270/Q2M049CC
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50565838 (CHEMBL4776444) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2ocnc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human PDL1 assessed as reduction in PDL1/human PD1protein-protein interaction by HTRF binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01362 BindingDB Entry DOI: 10.7270/Q23N274J
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM436112 (US10590105, Example 1006) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1cnc2ccccc2n1 |r| 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)/t34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human PDL1 assessed as reduction in PDL1/human PD1protein-protein interaction by HTRF binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01362 BindingDB Entry DOI: 10.7270/Q23N274J
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50565839 (CHEMBL4776700) Show SMILES [H][C@]12CN3CCCC[C@]3([H])[C@]([H])(C1)C=C1CCCN([C@@]21[H])S(=O)(=O)c1cn(C)cn1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human PDL1 assessed as reduction in PDL1/human PD1protein-protein interaction by HTRF binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01362 BindingDB Entry DOI: 10.7270/Q23N274J
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50239942 (CHEMBL4081869 | US9872852, Example 37) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCNC(C)=O Show InChI InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to PDL1 (unknown origin) assessed as reduction in PDL1/PD1 protein-protein interaction preincubated for 15 mins followed by PD1 addi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01362 BindingDB Entry DOI: 10.7270/Q23N274J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363331 ((S)-4-((5-chloro-2-((5-cyanopyridin-3-yl)methoxy)-...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC[C@@H](O)CC(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H32ClN3O7/c1-21-25(3-2-4-28(21)24-5-6-30-33(11-24)43-8-7-42-30)20-45-32-13-31(44-19-23-9-22(14-36)15-37-16-23)26(10-29(32)35)17-38-18-27(39)12-34(40)41/h2-6,9-11,13,15-16,27,38-39H,7-8,12,17-20H2,1H3,(H,40,41)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (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	1.40	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
Programmed cell death 1 ligand 1 (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	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363278 ((2S,4R)-1-(5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(...) 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 PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1.85	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363373 ((R)-1-(2-((5-cyanopyridin-3-yl)methoxy)-4-(3-(2,3-...) Show SMILES Cc1cc(CN2CCCC[C@@H]2C(O)=O)c(OCc2cncc(c2)C#N)cc1OCc1cccc(c1C)-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C37H37N3O6/c1-24-14-30(21-40-11-4-3-8-32(40)37(41)42)35(45-22-27-15-26(18-38)19-39-20-27)17-34(24)46-23-29-6-5-7-31(25(29)2)28-9-10-33-36(16-28)44-13-12-43-33/h5-7,9-10,14-17,19-20,32H,3-4,8,11-13,21-23H2,1-2H3,(H,41,42)/t32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.88	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363064 ((R)-2-(2-(3-cyanobenzyloxy)-4-(3-(2,3-dihydrobenzo...) Show SMILES Cc1cc(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc(OCc2cccc(c2)C#N)c1CN[C@](C)(CO)C(O)=O |r| Show InChI InChI=1S/C36H36N2O7/c1-23-14-29(44-21-28-8-5-9-30(24(28)2)27-10-11-32-34(16-27)43-13-12-42-32)17-33(31(23)19-38-36(3,22-39)35(40)41)45-20-26-7-4-6-25(15-26)18-37/h4-11,14-17,38-39H,12-13,19-22H2,1-3H3,(H,40,41)/t36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50239946 (CHEMBL4084368) Show SMILES Cc1cc(CN[C@H](CO)C(O)=O)c(OCc2cccc(c2)C#N)cc1OCc1cccc(c1C)-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.30	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 Structure (crystal)
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363286 ((R)-2-((5-chloro-2-((3-cyanobenzyl)oxy)-4-((3-(2,3...) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](CCO)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H33ClN2O7/c1-22-26(6-3-7-28(22)25-8-9-31-34(16-25)43-13-12-42-31)21-45-33-17-32(44-20-24-5-2-4-23(14-24)18-37)27(15-29(33)36)19-38-30(10-11-39)35(40)41/h2-9,14-17,30,38-39H,10-13,19-21H2,1H3,(H,40,41)/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.71	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM363080 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US9850225 (2017) BindingDB Entry DOI: 10.7270/Q2N018TZ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482411 (US10919852, Compound TABLE 1.110 | US11708326, Com...) Show SMILES O[C@H]1CCCC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC[C@@H](F)C3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C42H45Cl2FN4O4/c43-35-19-29(24-48-36-9-1-2-10-37(36)50)40(52-26-28-18-27(21-46)22-47-23-28)20-41(35)53-38-13-12-32-31(6-3-7-33(32)38)34-8-4-11-39(42(34)44)51-17-5-15-49-16-14-30(45)25-49/h3-4,6-8,11,18-20,22-23,30,36-38,48,50H,1-2,5,9-10,12-17,24-26H2/t30-,36-,37+,38+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482412 (US10919852, Compound TABLE 1.111 | US11708326, Com...) Show SMILES O[C@H]1CCCC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(F)CC3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C43H47Cl2FN4O4/c44-36-21-30(26-49-37-9-1-2-10-38(37)51)41(53-27-29-20-28(23-47)24-48-25-29)22-42(36)54-39-13-12-33-32(6-3-7-34(33)39)35-8-4-11-40(43(35)45)52-19-5-16-50-17-14-31(46)15-18-50/h3-4,6-8,11,20-22,24-25,31,37-39,49,51H,1-2,5,9-10,12-19,26-27H2/t37-,38+,39+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482413 (US10919852, Compound TABLE 1.112 | US11708326, Com...) Show SMILES O[C@H]1CCCC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC[C@H](F)C3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C42H45Cl2FN4O4/c43-35-19-29(24-48-36-9-1-2-10-37(36)50)40(52-26-28-18-27(21-46)22-47-23-28)20-41(35)53-38-13-12-32-31(6-3-7-33(32)38)34-8-4-11-39(42(34)44)51-17-5-15-49-16-14-30(45)25-49/h3-4,6-8,11,18-20,22-23,30,36-38,48,50H,1-2,5,9-10,12-17,24-26H2/t30-,36+,37-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482417 (US10919852, Compound TABLE 1.116 | US11708326, Com...) Show SMILES CN(C)CCCOc1cccc(c1Cl)-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN[C@@](C)(CO)C(O)=O)cc1Cl |r| Show InChI InChI=1S/C38H40Cl2N4O6/c1-38(23-45,37(46)47)43-21-26-16-31(39)35(17-34(26)49-22-25-15-24(18-41)19-42-20-25)50-32-12-11-28-27(7-4-8-29(28)32)30-9-5-10-33(36(30)40)48-14-6-13-44(2)3/h4-5,7-10,15-17,19-20,32,43,45H,6,11-14,21-23H2,1-3H3,(H,46,47)/t32-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482421 (US10919852, Compound TABLE 1.120 | US11708326, Com...) Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(C)(O)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C40H42Cl2N4O7/c1-39(50)22-46(23-39)12-5-13-51-34-9-4-8-31(37(34)42)28-6-3-7-30-29(28)10-11-33(30)53-36-16-35(52-21-26-14-25(17-43)18-44-19-26)27(15-32(36)41)20-45-40(2,24-47)38(48)49/h3-4,6-9,14-16,18-19,33,45,47,50H,5,10-13,20-24H2,1-2H3,(H,48,49)/t33-,40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482423 (US10919852, Compound TABLE 1.122 | US11708326, Com...) Show SMILES CCOC(=O)[C@](C)(CO)NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C41H44Cl2N4O7/c1-3-51-40(50)41(2,25-48)46-21-28-16-34(42)38(17-37(28)53-24-27-15-26(18-44)19-45-20-27)54-35-12-11-31-30(7-4-8-32(31)35)33-9-5-10-36(39(33)43)52-14-6-13-47-22-29(49)23-47/h4-5,7-10,15-17,19-20,29,35,46,48-49H,3,6,11-14,21-25H2,1-2H3/t35-,41-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482425 (US10919852, Compound TABLE 1.124 | US11708326, Com...) Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2[C@@H](F)Cc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C39H39Cl2FN4O7/c1-39(22-47,38(49)50)45-18-25-12-31(40)35(14-34(25)52-21-24-11-23(15-43)16-44-17-24)53-37-29-7-2-5-27(30(29)13-32(37)42)28-6-3-8-33(36(28)41)51-10-4-9-46-19-26(48)20-46/h2-3,5-8,11-12,14,16-17,26,32,37,45,47-48H,4,9-10,13,18-22H2,1H3,(H,49,50)/t32-,37+,39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482426 (US10919852, Compound TABLE 1.125 | US11708326, Com...) Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2[C@@H](F)Cc3c2cccc3-c2cccc(OCCCN3CC(F)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C39H38Cl2F2N4O6/c1-39(22-48,38(49)50)46-18-25-12-31(40)35(14-34(25)52-21-24-11-23(15-44)16-45-17-24)53-37-29-7-2-5-27(30(29)13-32(37)43)28-6-3-8-33(36(28)41)51-10-4-9-47-19-26(42)20-47/h2-3,5-8,11-12,14,16-17,26,32,37,46,48H,4,9-10,13,18-22H2,1H3,(H,49,50)/t32-,37+,39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482428 (US10919852, Compound TABLE 1.127 | US11708326, Com...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)c(Cl)cc1CN[C@@](C)(CO)C(O)=O |r| Show InChI InChI=1S/C34H40Cl2N2O7/c1-3-43-30-16-31(27(35)15-21(30)17-37-34(2,20-39)33(41)42)45-28-12-11-24-23(7-4-8-25(24)28)26-9-5-10-29(32(26)36)44-14-6-13-38-18-22(40)19-38/h4-5,7-10,15-16,22,28,37,39-40H,3,6,11-14,17-20H2,1-2H3,(H,41,42)/t28-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482429 (US10919852, Compound TABLE 1.128 | US11708326, Com...) Show SMILES NC(=O)[C@H](CO)NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C38H39Cl2N5O6/c39-31-13-25(18-44-32(21-46)38(42)48)35(50-22-24-12-23(15-41)16-43-17-24)14-36(31)51-33-9-8-28-27(4-1-5-29(28)33)30-6-2-7-34(37(30)40)49-11-3-10-45-19-26(47)20-45/h1-2,4-7,12-14,16-17,26,32-33,44,46-47H,3,8-11,18-22H2,(H2,42,48)/t32-,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482430 (US10919852, Compound TABLE 1.129 | US11708326, Com...) Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cccnc1)C(O)=O |r| Show InChI InChI=1S/C38H41Cl2N3O7/c1-38(23-44,37(46)47)42-19-25-16-31(39)35(17-34(25)49-22-24-6-4-13-41-18-24)50-32-12-11-28-27(7-2-8-29(28)32)30-9-3-10-33(36(30)40)48-15-5-14-43-20-26(45)21-43/h2-4,6-10,13,16-18,26,32,42,44-45H,5,11-12,14-15,19-23H2,1H3,(H,46,47)/t32-,38?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482431 (US10919852, Compound TABLE 1.130 | US11708326, Com...) Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCCCC3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C41H44Cl2N4O6/c1-41(26-48,40(49)50)46-24-29-19-34(42)38(20-37(29)52-25-28-18-27(21-44)22-45-23-28)53-35-13-12-31-30(8-5-9-32(31)35)33-10-6-11-36(39(33)43)51-17-7-16-47-14-3-2-4-15-47/h5-6,8-11,18-20,22-23,35,46,48H,2-4,7,12-17,24-26H2,1H3,(H,49,50)/t35-,41?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482302 (US10919852, Compound TABLE 1.1 | US11708326, Compo...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(OC2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C42H47ClN4O7/c1-26-32(6-4-9-37(26)52-17-5-14-47-15-12-31(49)13-16-47)33-7-3-8-35-34(33)10-11-38(35)54-40-20-39(53-25-29-18-28(21-44)22-45-23-29)30(19-36(40)43)24-46-41(27(2)48)42(50)51/h3-4,6-9,18-20,22-23,27,31,38,41,46,48-49H,5,10-17,24-25H2,1-2H3,(H,50,51)/t27-,38?,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482303 (US10919852, Compound TABLE 1.2 | US11708326, Compo...) Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2C(CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@@H](CO)C(O)=O)cc1Cl |r| Show InChI InChI=1S/C43H45ClN4O7/c1-27-33(5-3-8-39(27)53-16-4-13-48-14-11-32(50)12-15-48)34-6-2-7-36-35(34)9-10-40(36)55-42-21-41(31(20-37(42)44)24-47-38(25-49)43(51)52)54-26-30-18-28(22-45)17-29(19-30)23-46/h2-3,5-8,17-21,32,38,40,47,49-50H,4,9-16,24-26H2,1H3,(H,51,52)/t38-,40?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482304 (US10919852, Compound TABLE 1.3 | US11708326, Compo...) Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2C(CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@@H]2CCCC[C@@H]2O)cc1Cl |r| Show InChI InChI=1S/C46H51ClN4O5/c1-30-36(7-5-12-43(30)54-20-6-17-51-18-15-35(52)16-19-51)37-8-4-9-39-38(37)13-14-44(39)56-46-25-45(55-29-33-22-31(26-48)21-32(23-33)27-49)34(24-40(46)47)28-50-41-10-2-3-11-42(41)53/h4-5,7-9,12,21-25,35,41-42,44,50,52-53H,2-3,6,10-11,13-20,28-29H2,1H3/t41-,42+,44?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482305 (US10919852, Compound TABLE 1.4 | US10919852, Compo...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C42H47ClN4O7/c1-26-32(6-4-9-37(26)52-17-5-14-47-15-12-31(49)13-16-47)33-7-3-8-35-34(33)10-11-38(35)54-40-20-39(53-25-29-18-28(21-44)22-45-23-29)30(19-36(40)43)24-46-41(27(2)48)42(50)51/h3-4,6-9,18-20,22-23,27,31,38,41,46,48-49H,5,10-17,24-25H2,1-2H3,(H,50,51)/t27-,38+,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482306 (US10919852, Compound TABLE 1.5 | US11708326, Compo...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2F)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C41H44ClFN4O7/c1-25(48)40(41(50)51)46-23-28-18-34(42)38(19-37(28)53-24-27-17-26(20-44)21-45-22-27)54-35-10-9-31-30(5-2-6-32(31)35)33-7-3-8-36(39(33)43)52-16-4-13-47-14-11-29(49)12-15-47/h2-3,5-8,17-19,21-22,25,29,35,40,46,48-49H,4,9-16,23-24H2,1H3,(H,50,51)/t25-,35+,40+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482307 (US10919852, Compound TABLE 1.6 | US11708326, Compo...) Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2F)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C41H44ClFN4O7/c1-41(25-48,40(50)51)46-23-28-18-34(42)38(19-37(28)53-24-27-17-26(20-44)21-45-22-27)54-35-10-9-31-30(5-2-6-32(31)35)33-7-3-8-36(39(33)43)52-16-4-13-47-14-11-29(49)12-15-47/h2-3,5-8,17-19,21-22,29,35,46,48-49H,4,9-16,23-25H2,1H3,(H,50,51)/t35-,41-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482308 (US10919852, Compound TABLE 1.7 | US11708326, Compo...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2C)c(Cl)cc1CN[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C36H45ClN2O7/c1-3-44-34-20-35(30(37)19-24(34)21-38-31(22-40)36(42)43)46-33-12-11-28-27(8-4-9-29(28)33)26-7-5-10-32(23(26)2)45-18-6-15-39-16-13-25(41)14-17-39/h4-5,7-10,19-20,25,31,33,38,40-41H,3,6,11-18,21-22H2,1-2H3,(H,42,43)/t31-,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482309 (US10919852, Compound TABLE 1.8 | US11708326, Compo...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2C)c(Cl)cc1CN[C@@H]([C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C37H47ClN2O7/c1-4-45-34-21-35(31(38)20-25(34)22-39-36(24(3)41)37(43)44)47-33-13-12-29-28(9-5-10-30(29)33)27-8-6-11-32(23(27)2)46-19-7-16-40-17-14-26(42)15-18-40/h5-6,8-11,20-21,24,26,33,36,39,41-42H,4,7,12-19,22H2,1-3H3,(H,43,44)/t24-,33+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482310 (US10919852, Compound TABLE 1.9 | US11708326, Compo...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC[C@@H](O)C3)c2C)c(Cl)cc1CN[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C35H43ClN2O7/c1-3-43-33-18-34(29(36)17-23(33)19-37-30(21-39)35(41)42)45-32-12-11-27-26(8-4-9-28(27)32)25-7-5-10-31(22(25)2)44-16-6-14-38-15-13-24(40)20-38/h4-5,7-10,17-18,24,30,32,37,39-40H,3,6,11-16,19-21H2,1-2H3,(H,41,42)/t24-,30+,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482311 (US10919852, Compound TABLE 1.10 | US11708326, Comp...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC[C@@H](O)C3)c2C)c(Cl)cc1CN[C@@H]([C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C36H45ClN2O7/c1-4-44-33-19-34(30(37)18-24(33)20-38-35(23(3)40)36(42)43)46-32-13-12-28-27(9-5-10-29(28)32)26-8-6-11-31(22(26)2)45-17-7-15-39-16-14-25(41)21-39/h5-6,8-11,18-19,23,25,32,35,38,40-41H,4,7,12-17,20-21H2,1-3H3,(H,42,43)/t23-,25-,32+,35+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482312 (US10919852, Compound TABLE 1.11 | US11708326, Comp...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC[C@@H](O)C3)c2C)c(Cl)cc1CNC(C)(CO)C(O)=O |r| Show InChI InChI=1S/C36H45ClN2O7/c1-4-44-33-19-34(30(37)18-24(33)20-38-36(3,22-40)35(42)43)46-32-13-12-28-27(9-5-10-29(28)32)26-8-6-11-31(23(26)2)45-17-7-15-39-16-14-25(41)21-39/h5-6,8-11,18-19,25,32,38,40-41H,4,7,12-17,20-22H2,1-3H3,(H,42,43)/t25-,32+,36?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482313 (US10919852, Compound TABLE 1.12 | US11708326, Comp...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC[C@@H](O)C3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C42H47ClN4O7/c1-26-32(8-4-11-37(26)52-16-6-15-47-14-5-7-31(49)24-47)33-9-3-10-35-34(33)12-13-38(35)54-40-19-39(53-25-29-17-28(20-44)21-45-22-29)30(18-36(40)43)23-46-41(27(2)48)42(50)51/h3-4,8-11,17-19,21-22,27,31,38,41,46,48-49H,5-7,12-16,23-25H2,1-2H3,(H,50,51)/t27-,31-,38+,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482314 (US10919852, Compound TABLE 1.13 | US11708326, Comp...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC[C@H](O)C3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C42H47ClN4O7/c1-26-32(8-4-11-37(26)52-16-6-15-47-14-5-7-31(49)24-47)33-9-3-10-35-34(33)12-13-38(35)54-40-19-39(53-25-29-17-28(20-44)21-45-22-29)30(18-36(40)43)23-46-41(27(2)48)42(50)51/h3-4,8-11,17-19,21-22,27,31,38,41,46,48-49H,5-7,12-16,23-25H2,1-2H3,(H,50,51)/t27-,31+,38+,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482315 (US10919852, Compound TABLE 1.14 | US10919852, Comp...) Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@@](C)(CO)C(O)=O)cc1Cl |r| Show InChI InChI=1S/C44H47ClN4O7/c1-28-34(6-4-9-39(28)54-17-5-14-49-15-12-33(51)13-16-49)35-7-3-8-37-36(35)10-11-40(37)56-42-22-41(55-26-31-19-29(23-46)18-30(20-31)24-47)32(21-38(42)45)25-48-44(2,27-50)43(52)53/h3-4,6-9,18-22,33,40,48,50-51H,5,10-17,25-27H2,1-2H3,(H,52,53)/t40-,44-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482315 (US10919852, Compound TABLE 1.14 | US10919852, Comp...) Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@@](C)(CO)C(O)=O)cc1Cl |r| Show InChI InChI=1S/C44H47ClN4O7/c1-28-34(6-4-9-39(28)54-17-5-14-49-15-12-33(51)13-16-49)35-7-3-8-37-36(35)10-11-40(37)56-42-22-41(55-26-31-19-29(23-46)18-30(20-31)24-47)32(21-38(42)45)25-48-44(2,27-50)43(52)53/h3-4,6-9,18-22,33,40,48,50-51H,5,10-17,25-27H2,1-2H3,(H,52,53)/t40-,44-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482317 (US10919852, Compound TABLE 1.16 | US11708326, Comp...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC[C@@H](O)C3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C41H45ClN4O7/c1-25-31(6-4-9-36(25)51-15-5-13-46-14-12-30(48)23-46)32-7-3-8-34-33(32)10-11-37(34)53-39-18-38(52-24-28-16-27(19-43)20-44-21-28)29(17-35(39)42)22-45-40(26(2)47)41(49)50/h3-4,6-9,16-18,20-21,26,30,37,40,45,47-48H,5,10-15,22-24H2,1-2H3,(H,49,50)/t26-,30-,37+,40+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482318 (US10919852, Compound TABLE 1.17 | US11708326, Comp...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(F)CC3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C42H46ClFN4O6/c1-26-32(6-4-9-37(26)52-17-5-14-48-15-12-31(44)13-16-48)33-7-3-8-35-34(33)10-11-38(35)54-40-20-39(53-25-29-18-28(21-45)22-46-23-29)30(19-36(40)43)24-47-41(27(2)49)42(50)51/h3-4,6-9,18-20,22-23,27,31,38,41,47,49H,5,10-17,24-25H2,1-2H3,(H,50,51)/t27-,38+,41+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482320 (US10919852, Compound TABLE 1.19 | US11708326, Comp...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(CO)CC3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C43H49ClN4O7/c1-27-33(6-4-9-38(27)53-17-5-14-48-15-12-29(25-49)13-16-48)34-7-3-8-36-35(34)10-11-39(36)55-41-20-40(54-26-31-18-30(21-45)22-46-23-31)32(19-37(41)44)24-47-42(28(2)50)43(51)52/h3-4,6-9,18-20,22-23,28-29,39,42,47,49-50H,5,10-17,24-26H2,1-2H3,(H,51,52)/t28-,39+,42+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482321 (US10919852, Compound TABLE 1.20 | US11708326, Comp...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C40H43ClN4O7/c1-24-30(6-4-9-35(24)50-13-5-12-45-21-29(47)22-45)31-7-3-8-33-32(31)10-11-36(33)52-38-16-37(51-23-27-14-26(17-42)18-43-19-27)28(15-34(38)41)20-44-39(25(2)46)40(48)49/h3-4,6-9,14-16,18-19,25,29,36,39,44,46-47H,5,10-13,20-23H2,1-2H3,(H,48,49)/t25-,36+,39+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482322 (US10919852, Compound TABLE 1.21 | US10919852, Comp...) Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C41H44Cl2N4O7/c1-41(25-48,40(50)51)46-23-28-18-34(42)38(19-37(28)53-24-27-17-26(20-44)21-45-22-27)54-35-10-9-31-30(5-2-6-32(31)35)33-7-3-8-36(39(33)43)52-16-4-13-47-14-11-29(49)12-15-47/h2-3,5-8,17-19,21-22,29,35,46,48-49H,4,9-16,23-25H2,1H3,(H,50,51)/t35-,41-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482323 (US10919852, Compound TABLE 1.22 | US11708326, Comp...) Show SMILES OC[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C40H42Cl2N4O7/c41-33-17-27(22-45-34(23-47)40(49)50)37(52-24-26-16-25(19-43)20-44-21-26)18-38(33)53-35-9-8-30-29(4-1-5-31(30)35)32-6-2-7-36(39(32)42)51-15-3-12-46-13-10-28(48)11-14-46/h1-2,4-7,16-18,20-21,28,34-35,45,47-48H,3,8-15,22-24H2,(H,49,50)/t34-,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482324 (US10919852, Compound TABLE 1.23 | US11708326, Comp...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C41H44Cl2N4O7/c1-25(48)40(41(50)51)46-23-28-18-34(42)38(19-37(28)53-24-27-17-26(20-44)21-45-22-27)54-35-10-9-31-30(5-2-6-32(31)35)33-7-3-8-36(39(33)43)52-16-4-13-47-14-11-29(49)12-15-47/h2-3,5-8,17-19,21-22,25,29,35,40,46,48-49H,4,9-16,23-24H2,1H3,(H,50,51)/t25-,35+,40+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM609817 (US11708326, Compound TABLE 1.24) Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN[C@@](C)(CO)C(O)=O)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair

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