Compile Data Set for Download or QSAR

Found 416 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 11359   

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 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))	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))	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))	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))	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))	BDBM482533 (US10919852, Compound TABLE 1.232 | US11708326, Com...) Show SMILES O[C@@H]1CCC[C@@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C43H45Cl2FN4O4/c44-35-16-29(23-49-36-8-3-9-37(36)51)40(53-24-28-15-27(20-47)21-48-22-28)17-41(35)54-38-12-11-32-31(5-1-6-33(32)38)34-7-2-10-39(42(34)45)52-14-4-13-50-25-43(26-50)18-30(46)19-43/h1-2,5-7,10,15-17,21-22,30,36-38,49,51H,3-4,8-9,11-14,18-19,23-26H2/t36-,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))	BDBM482534 (US10919852, Compound TABLE 1.233 | US11708326, Com...) Show SMILES O[C@H]1CCCC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C41H44Cl2N4O4/c42-34-20-29(25-46-35-10-1-2-11-36(35)48)39(50-26-28-19-27(22-44)23-45-24-28)21-40(34)51-37-14-13-31-30(7-3-8-32(31)37)33-9-4-12-38(41(33)43)49-18-6-17-47-15-5-16-47/h3-4,7-9,12,19-21,23-24,35-37,46,48H,1-2,5-6,10-11,13-18,25-26H2/t35-,36+,37+/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))	BDBM482535 (US10919852, Compound TABLE 1.234 | US11708326, Com...) Show SMILES O[C@H]1CCC[C@@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C43H45Cl2FN4O4/c44-35-16-29(23-49-36-8-3-9-37(36)51)40(53-24-28-15-27(20-47)21-48-22-28)17-41(35)54-38-12-11-32-31(5-1-6-33(32)38)34-7-2-10-39(42(34)45)52-14-4-13-50-25-43(26-50)18-30(46)19-43/h1-2,5-7,10,15-17,21-22,30,36-38,49,51H,3-4,8-9,11-14,18-19,23-26H2/t36-,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))	BDBM482537 (US10919852, Compound TABLE 1.236 | US11708326, Com...) Show SMILES Clc1cc(CNC[C@H]2CCC(=O)N2)c(OCc2cncc(c2)C#N)cc1O[C@H]1CCc2c1cccc2-c1cccc(OCCCN2CCC2)c1Cl |r| Show InChI InChI=1S/C40H41Cl2N5O4/c41-34-18-28(23-45-24-29-9-12-39(48)46-29)37(50-25-27-17-26(20-43)21-44-22-27)19-38(34)51-35-11-10-31-30(5-1-6-32(31)35)33-7-2-8-36(40(33)42)49-16-4-15-47-13-3-14-47/h1-2,5-8,17-19,21-22,29,35,45H,3-4,9-16,23-25H2,(H,46,48)/t29-,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))	BDBM482538 (US10919852, Compound TABLE 1.237 | US11708326, Com...) Show SMILES FC1CC2(C1)CN(CCCOc1cccc(c1Cl)-c1cccc3[C@H](CCc13)Oc1cc(OCc3cncc(c3)C#N)c(CNC[C@@H]3CCC(=O)N3)cc1Cl)C2 |r| Show InChI InChI=1S/C43H44Cl2FN5O4/c44-36-15-29(22-49-23-31-8-11-41(52)50-31)39(54-24-28-14-27(19-47)20-48-21-28)16-40(36)55-37-10-9-33-32(4-1-5-34(33)37)35-6-2-7-38(42(35)45)53-13-3-12-51-25-43(26-51)17-30(46)18-43/h1-2,4-7,14-16,20-21,30-31,37,49H,3,8-13,17-18,22-26H2,(H,50,52)/t31-,37-/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))	BDBM482539 (US10919852, Compound TABLE 1.238 | US11708326, Com...) Show SMILES FC1CC2(C1)CN(CCCOc1cccc(c1Cl)-c1cccc3[C@H](CCc13)Oc1cc(OCc3cncc(c3)C#N)c(CNC[C@H]3CCC(=O)N3)cc1Cl)C2 |r| Show InChI InChI=1S/C43H44Cl2FN5O4/c44-36-15-29(22-49-23-31-8-11-41(52)50-31)39(54-24-28-14-27(19-47)20-48-21-28)16-40(36)55-37-10-9-33-32(4-1-5-34(33)37)35-6-2-7-38(42(35)45)53-13-3-12-51-25-43(26-51)17-30(46)18-43/h1-2,4-7,14-16,20-21,30-31,37,49H,3,8-13,17-18,22-26H2,(H,50,52)/t31-,37+/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))	BDBM482540 (US10919852, Compound TABLE 1.239 | US11708326, Com...) Show SMILES CN1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@@H]3CCCC[C@@H]3O)cc2Cl)C1 |r| Show InChI InChI=1S/C41H44Cl2N4O4/c1-47-15-14-26(23-47)24-49-38-11-5-8-33(41(38)43)30-6-4-7-32-31(30)12-13-37(32)51-40-18-39(50-25-28-16-27(19-44)20-45-21-28)29(17-34(40)42)22-46-35-9-2-3-10-36(35)48/h4-8,11,16-18,20-21,26,35-37,46,48H,2-3,9-10,12-15,22-25H2,1H3/t26?,35-,36+,37+/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))	BDBM482541 (US10919852, Compound TABLE 1.240 | US11708326, Com...) Show SMILES CN1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC[C@H]3CCC(=O)N3)cc2Cl)C1 |r| Show InChI InChI=1S/C40H41Cl2N5O4/c1-47-13-12-25(22-47)23-49-36-7-3-6-33(40(36)42)30-4-2-5-32-31(30)9-10-35(32)51-38-16-37(50-24-27-14-26(17-43)18-44-19-27)28(15-34(38)41)20-45-21-29-8-11-39(48)46-29/h2-7,14-16,18-19,25,29,35,45H,8-13,20-24H2,1H3,(H,46,48)/t25?,29-,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))	BDBM482542 (US10919852, Compound TABLE 1.241 | US11708326, Com...) Show SMILES O[C@H]1CCC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C43H44Cl2F2N4O4/c44-34-16-29(21-50-35-8-3-9-36(35)52)39(54-22-28-15-27(18-48)19-49-20-28)17-40(34)55-37-12-11-31-30(5-1-6-32(31)37)33-7-2-10-38(41(33)45)53-14-4-13-51-25-42(26-51)23-43(46,47)24-42/h1-2,5-7,10,15-17,19-20,35-37,50,52H,3-4,8-9,11-14,21-26H2/t35-,36+,37+/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))	BDBM482543 (US10919852, Compound TABLE 1.242 | US11708326, Com...) Show SMILES O[C@@H]1CCC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C43H44Cl2F2N4O4/c44-34-16-29(21-50-35-8-3-9-36(35)52)39(54-22-28-15-27(18-48)19-49-20-28)17-40(34)55-37-12-11-31-30(5-1-6-32(31)37)33-7-2-10-38(41(33)45)53-14-4-13-51-25-42(26-51)23-43(46,47)24-42/h1-2,5-7,10,15-17,19-20,35-37,50,52H,3-4,8-9,11-14,21-26H2/t35-,36-,37+/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))	BDBM482545 (US10919852, Compound TABLE 1.244 | US11708326, Com...) Show SMILES O[C@@H]1CCC[C@@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C43H44Cl2F2N4O4/c44-34-16-29(21-50-35-8-3-9-36(35)52)39(54-22-28-15-27(18-48)19-49-20-28)17-40(34)55-37-12-11-31-30(5-1-6-32(31)37)33-7-2-10-38(41(33)45)53-14-4-13-51-25-42(26-51)23-43(46,47)24-42/h1-2,5-7,10,15-17,19-20,35-37,50,52H,3-4,8-9,11-14,21-26H2/t35-,36+,37-/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))	BDBM482546 (US10919852, Compound TABLE 1.245 | US11708326, Com...) Show SMILES O[C@H]1CCC[C@@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C43H44Cl2F2N4O4/c44-34-16-29(21-50-35-8-3-9-36(35)52)39(54-22-28-15-27(18-48)19-49-20-28)17-40(34)55-37-12-11-31-30(5-1-6-32(31)37)33-7-2-10-38(41(33)45)53-14-4-13-51-25-42(26-51)23-43(46,47)24-42/h1-2,5-7,10,15-17,19-20,35-37,50,52H,3-4,8-9,11-14,21-26H2/t35-,36-,37-/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))	BDBM482548 (US10919852, Compound TABLE 1.247 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CC3(CCC3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C46H48ClN5O4/c1-30-36(6-3-9-41(30)54-17-5-16-52-28-46(29-52)14-4-15-46)37-7-2-8-39-38(37)11-12-42(39)56-44-22-43(55-27-33-19-31(23-48)18-32(20-33)24-49)34(21-40(44)47)25-50-26-35-10-13-45(53)51-35/h2-3,6-9,18-22,35,42,50H,4-5,10-17,25-29H2,1H3,(H,51,53)/t35-,42-/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))	BDBM482549 (US10919852, Compound TABLE 1.248 | US11708326, Com...) Show SMILES CC1CCN(CCCOc2cccc(c2C)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cc(cc(c3)C#N)C#N)c(CNC[C@H]3CCC(=O)N3)cc2Cl)CC1 |r| Show InChI InChI=1S/C46H50ClN5O4/c1-30-14-17-52(18-15-30)16-5-19-54-42-9-4-6-37(31(42)2)38-7-3-8-40-39(38)11-12-43(40)56-45-24-44(55-29-34-21-32(25-48)20-33(22-34)26-49)35(23-41(45)47)27-50-28-36-10-13-46(53)51-36/h3-4,6-9,20-24,30,36,43,50H,5,10-19,27-29H2,1-2H3,(H,51,53)/t36-,43+/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))	BDBM482550 (US10919852, Compound TABLE 1.249 | US11708326, Com...) Show SMILES CC1CCN(CCCOc2cccc(c2C)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cc(cc(c3)C#N)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)CC1 |r| Show InChI InChI=1S/C46H50ClN5O4/c1-30-14-17-52(18-15-30)16-5-19-54-42-9-4-6-37(31(42)2)38-7-3-8-40-39(38)11-12-43(40)56-45-24-44(55-29-34-21-32(25-48)20-33(22-34)26-49)35(23-41(45)47)27-50-28-36-10-13-46(53)51-36/h3-4,6-9,20-24,30,36,43,50H,5,10-19,27-29H2,1-2H3,(H,51,53)/t36-,43-/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))	BDBM482551 (US10919852, Compound TABLE 1.250 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CC3(CC(O)C3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C46H48ClN5O5/c1-29-36(5-3-8-41(29)55-14-4-13-52-27-46(28-52)20-35(53)21-46)37-6-2-7-39-38(37)10-11-42(39)57-44-19-43(56-26-32-16-30(22-48)15-31(17-32)23-49)33(18-40(44)47)24-50-25-34-9-12-45(54)51-34/h2-3,5-8,15-19,34-35,42,50,53H,4,9-14,20-21,24-28H2,1H3,(H,51,54)/t34-,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))	BDBM482554 (US10919852, Compound TABLE 1.253 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCC(C)(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C44H49ClFN5O4/c1-29-34(6-4-9-39(29)53-19-5-16-51-17-14-44(2,46)15-18-51)35-7-3-8-37-36(35)11-12-40(37)55-42-22-41(54-28-31-20-30(23-47)24-48-25-31)32(21-38(42)45)26-49-27-33-10-13-43(52)50-33/h3-4,6-9,20-22,24-25,33,40,49H,5,10-19,26-28H2,1-2H3,(H,50,52)/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))	BDBM482555 (US10919852, Compound TABLE 1.254 | US11708326, Com...) Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(F)CC3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C41H43Cl2FN4O4/c42-34-19-28(24-47-35-9-10-36(35)49)39(51-25-27-18-26(21-45)22-46-23-27)20-40(34)52-37-11-8-31-30(4-1-5-32(31)37)33-6-2-7-38(41(33)43)50-17-3-14-48-15-12-29(44)13-16-48/h1-2,4-7,18-20,22-23,29,35-37,47,49H,3,8-17,24-25H2/t35-,36-,37+/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))	BDBM482556 (US10919852, Compound TABLE 1.255 | US10919852, Com...) Show SMILES Cc1c(OCCCN2CCC(C)(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC2CCC(=O)NC2)cc1Cl |r| Show InChI InChI=1S/C44H49ClFN5O4/c1-29-34(6-4-9-39(29)53-19-5-16-51-17-14-44(2,46)15-18-51)35-7-3-8-37-36(35)11-12-40(37)55-42-22-41(54-28-31-20-30(23-47)24-48-25-31)32(21-38(42)45)26-49-33-10-13-43(52)50-27-33/h3-4,6-9,20-22,24-25,33,40,49H,5,10-19,26-28H2,1-2H3,(H,50,52)/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))	BDBM482558 (US10919852, Compound TABLE 1.257 | US11708326, Com...) Show SMILES O[C@H]1CC[C@@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C42H43Cl2FN4O4/c43-34-15-28(22-48-35-9-10-36(35)50)39(52-23-27-14-26(19-46)20-47-21-27)16-40(34)53-37-11-8-31-30(4-1-5-32(31)37)33-6-2-7-38(41(33)44)51-13-3-12-49-24-42(25-49)17-29(45)18-42/h1-2,4-7,14-16,20-21,29,35-37,48,50H,3,8-13,17-18,22-25H2/t35-,36-,37-/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))	BDBM482559 (US10919852, Compound TABLE 1.258 | US11708326, Com...) Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C42H43Cl2FN4O4/c43-34-15-28(22-48-35-9-10-36(35)50)39(52-23-27-14-26(19-46)20-47-21-27)16-40(34)53-37-11-8-31-30(4-1-5-32(31)37)33-6-2-7-38(41(33)44)51-13-3-12-49-24-42(25-49)17-29(45)18-42/h1-2,4-7,14-16,20-21,29,35-37,48,50H,3,8-13,17-18,22-25H2/t35-,36-,37+/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))	BDBM482560 (US10919852, Compound TABLE 1.259 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CC3(CC(F)C3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@H]2CCC(=O)NC2)cc1Cl |r| Show InChI InChI=1S/C46H47ClFN5O4/c1-29-36(5-3-8-41(29)55-14-4-13-53-27-46(28-53)20-34(48)21-46)37-6-2-7-39-38(37)10-11-42(39)57-44-19-43(56-26-32-16-30(22-49)15-31(17-32)23-50)33(18-40(44)47)24-51-35-9-12-45(54)52-25-35/h2-3,5-8,15-19,34-35,42,51H,4,9-14,20-21,24-28H2,1H3,(H,52,54)/t35-,42-/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))	BDBM482561 (US10919852, Compound TABLE 1.260 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@@H]2CCC(=O)NC2)cc1Cl |r| Show InChI InChI=1S/C45H47ClFN5O4/c1-29-36(5-3-8-41(29)54-18-4-15-52-16-13-34(47)14-17-52)37-6-2-7-39-38(37)10-11-42(39)56-44-23-43(55-28-32-20-30(24-48)19-31(21-32)25-49)33(22-40(44)46)26-50-35-9-12-45(53)51-27-35/h2-3,5-8,19-23,34-35,42,50H,4,9-18,26-28H2,1H3,(H,51,53)/t35-,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))	BDBM482563 (US10919852, Compound TABLE 1.262 | US11708326, Com...) Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C42H42Cl2F2N4O4/c43-33-15-28(20-49-34-9-10-35(34)51)38(53-21-27-14-26(17-47)18-48-19-27)16-39(33)54-36-11-8-30-29(4-1-5-31(30)36)32-6-2-7-37(40(32)44)52-13-3-12-50-24-41(25-50)22-42(45,46)23-41/h1-2,4-7,14-16,18-19,34-36,49,51H,3,8-13,20-25H2/t34-,35-,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))	BDBM482568 (US10919852, Compound TABLE 1.267 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCCCC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C43H48ClN5O4/c1-29-34(8-6-11-39(29)51-19-7-18-49-16-3-2-4-17-49)35-9-5-10-37-36(35)13-14-40(37)53-42-22-41(52-28-31-20-30(23-45)24-46-25-31)32(21-38(42)44)26-47-27-33-12-15-43(50)48-33/h5-6,8-11,20-22,24-25,33,40,47H,2-4,7,12-19,26-28H2,1H3,(H,48,50)/t33-,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))	BDBM482569 (US10919852, Compound TABLE 1.268 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCCCC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C43H48ClN5O4/c1-29-34(8-6-11-39(29)51-19-7-18-49-16-3-2-4-17-49)35-9-5-10-37-36(35)13-14-40(37)53-42-22-41(52-28-31-20-30(23-45)24-46-25-31)32(21-38(42)44)26-47-27-33-12-15-43(50)48-33/h5-6,8-11,20-22,24-25,33,40,47H,2-4,7,12-19,26-28H2,1H3,(H,48,50)/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))	BDBM482570 (US10919852, Compound TABLE 1.269 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCC(C)(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C46H50ClN5O5/c1-30-36(6-4-9-41(30)55-19-5-16-52-17-14-46(2,54)15-18-52)37-7-3-8-39-38(37)11-12-42(39)57-44-24-43(56-29-33-21-31(25-48)20-32(22-33)26-49)34(23-40(44)47)27-50-28-35-10-13-45(53)51-35/h3-4,6-9,20-24,35,42,50,54H,5,10-19,27-29H2,1-2H3,(H,51,53)/t35-,42-/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))	BDBM482571 (US10919852, Compound TABLE 1.270 | US11708326, Com...) Show SMILES Clc1cc(CNC[C@@H]2CCC(=O)N2)c(OCc2cncc(c2)C#N)cc1O[C@H]1CCc2c1cccc2-c1cccc(OCCCN2CCC2)c1Cl |r| Show InChI InChI=1S/C40H41Cl2N5O4/c41-34-18-28(23-45-24-29-9-12-39(48)46-29)37(50-25-27-17-26(20-43)21-44-22-27)19-38(34)51-35-11-10-31-30(5-1-6-32(31)35)33-7-2-8-36(40(33)42)49-16-4-15-47-13-3-14-47/h1-2,5-8,17-19,21-22,29,35,45H,3-4,9-16,23-25H2,(H,46,48)/t29-,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))	BDBM482572 (US10919852, Compound TABLE 1.271 | US11708326, Com...) Show SMILES CN1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)C1 |r| Show InChI InChI=1S/C40H41Cl2N5O4/c1-47-13-12-25(22-47)23-49-36-7-3-6-33(40(36)42)30-4-2-5-32-31(30)9-10-35(32)51-38-16-37(50-24-27-14-26(17-43)18-44-19-27)28(15-34(38)41)20-45-21-29-8-11-39(48)46-29/h2-7,14-16,18-19,25,29,35,45H,8-13,20-24H2,1H3,(H,46,48)/t25?,29-,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))	BDBM482573 (US10919852, Compound TABLE 1.272 | US11708326, Com...) Show SMILES C[C@@H]1CCCCN1CCCOc1cccc(c1C)-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C46H50ClN5O4/c1-30-8-3-4-17-52(30)18-7-19-54-42-12-6-9-37(31(42)2)38-10-5-11-40-39(38)14-15-43(40)56-45-24-44(55-29-34-21-32(25-48)20-33(22-34)26-49)35(23-41(45)47)27-50-28-36-13-16-46(53)51-36/h5-6,9-12,20-24,30,36,43,50H,3-4,7-8,13-19,27-29H2,1-2H3,(H,51,53)/t30-,36-,43+/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))	BDBM482583 (US10919852, Compound TABLE 1.282 | US11708326, Com...) Show SMILES C[C@H]1CCCCN1CCCOc1cccc(c1C)-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C46H50ClN5O4/c1-30-8-3-4-17-52(30)18-7-19-54-42-12-6-9-37(31(42)2)38-10-5-11-40-39(38)14-15-43(40)56-45-24-44(55-29-34-21-32(25-48)20-33(22-34)26-49)35(23-41(45)47)27-50-28-36-13-16-46(53)51-36/h5-6,9-12,20-24,30,36,43,50H,3-4,7-8,13-19,27-29H2,1-2H3,(H,51,53)/t30-,36-,43-/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))	BDBM482584 (US10919852, Compound TABLE 1.283 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C43H44ClN5O4/c1-28-34(6-3-9-39(28)51-17-5-16-49-14-4-15-49)35-7-2-8-37-36(35)11-12-40(37)53-42-22-41(52-27-31-19-29(23-45)18-30(20-31)24-46)32(21-38(42)44)25-47-26-33-10-13-43(50)48-33/h2-3,6-9,18-22,33,40,47H,4-5,10-17,25-27H2,1H3,(H,48,50)/t33-,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))	BDBM482585 (US10919852, Compound TABLE 1.284 | US11708326, Com...) Show SMILES CC1(F)CCN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)CC1 |r| Show InChI InChI=1S/C43H46Cl2FN5O4/c1-43(46)13-16-51(17-14-43)15-4-18-53-38-8-3-7-35(42(38)45)32-5-2-6-34-33(32)10-11-37(34)55-40-21-39(54-27-29-19-28(22-47)23-48-24-29)30(20-36(40)44)25-49-26-31-9-12-41(52)50-31/h2-3,5-8,19-21,23-24,31,37,49H,4,9-18,25-27H2,1H3,(H,50,52)/t31-,37-/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))	BDBM482589 (US10919852, Compound TABLE 1.288 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCC(O)CC2(C)C)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@H]2CCC(=O)NC2)cc1Cl |r| Show InChI InChI=1S/C47H52ClN5O5/c1-30-37(7-5-10-42(30)56-18-6-16-53-17-15-36(54)24-47(53,2)3)38-8-4-9-40-39(38)12-13-43(40)58-45-23-44(57-29-33-20-31(25-49)19-32(21-33)26-50)34(22-41(45)48)27-51-35-11-14-46(55)52-28-35/h4-5,7-10,19-23,35-36,43,51,54H,6,11-18,24,27-29H2,1-3H3,(H,52,55)/t35-,36?,43-/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))	BDBM482590 (US10919852, Compound TABLE 1.289 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCCC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@H]2CCC(=O)NC2)cc1Cl |r| Show InChI InChI=1S/C44H46ClN5O4/c1-29-35(7-5-10-40(29)52-18-6-17-50-15-2-3-16-50)36-8-4-9-38-37(36)12-13-41(38)54-43-23-42(53-28-32-20-30(24-46)19-31(21-32)25-47)33(22-39(43)45)26-48-34-11-14-44(51)49-27-34/h4-5,7-10,19-23,34,41,48H,2-3,6,11-18,26-28H2,1H3,(H,49,51)/t34-,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))	BDBM482591 (US10919852, Compound TABLE 1.290 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNCC(=O)NS(C)(=O)=O)cc1Cl |r| Show InChI InChI=1S/C43H45ClFN5O6S/c1-28-34(6-4-9-39(28)54-17-5-14-50-15-12-33(45)13-16-50)35-7-3-8-37-36(35)10-11-40(37)56-42-22-41(55-27-31-19-29(23-46)18-30(20-31)24-47)32(21-38(42)44)25-48-26-43(51)49-57(2,52)53/h3-4,6-9,18-22,33,40,48H,5,10-17,25-27H2,1-2H3,(H,49,51)/t40-/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))	BDBM482598 (US10919852, Compound TABLE 1.297 | US11708326, Com...) Show SMILES CCN1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)C1 |r| Show InChI InChI=1S/C41H43Cl2N5O4/c1-2-48-14-13-26(23-48)24-50-37-8-4-7-34(41(37)43)31-5-3-6-33-32(31)10-11-36(33)52-39-17-38(51-25-28-15-27(18-44)19-45-20-28)29(16-35(39)42)21-46-22-30-9-12-40(49)47-30/h3-8,15-17,19-20,26,30,36,46H,2,9-14,21-25H2,1H3,(H,47,49)/t26?,30-,36-/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))	BDBM482600 (US10919852, Compound TABLE 1.299 | US11708326, Com...) Show SMILES CC(C)N1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)C1 |r| Show InChI InChI=1S/C42H45Cl2N5O4/c1-26(2)49-14-13-27(23-49)24-51-38-8-4-7-35(42(38)44)32-5-3-6-34-33(32)10-11-37(34)53-40-17-39(52-25-29-15-28(18-45)19-46-20-29)30(16-36(40)43)21-47-22-31-9-12-41(50)48-31/h3-8,15-17,19-20,26-27,31,37,47H,9-14,21-25H2,1-2H3,(H,48,50)/t27?,31-,37-/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))	BDBM482601 (US10919852, Compound TABLE 1.300 | US11708326, Com...) Show SMILES CC(C)N1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@H]3CCC(=O)NC3)cc2Cl)C1 |r| Show InChI InChI=1S/C42H45Cl2N5O4/c1-26(2)49-14-13-27(23-49)24-51-38-8-4-7-35(42(38)44)32-5-3-6-34-33(32)10-11-37(34)53-40-17-39(52-25-29-15-28(18-45)19-46-20-29)30(16-36(40)43)21-47-31-9-12-41(50)48-22-31/h3-8,15-17,19-20,26-27,31,37,47H,9-14,21-25H2,1-2H3,(H,48,50)/t27?,31-,37-/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))	BDBM482605 (US10919852, Compound TABLE 1.304 | US11708326, Com...) Show SMILES CC1CCC(C)N1CCCOc1cccc(c1C)-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@H]2CCC(=O)NC2)cc1Cl |r| Show InChI InChI=1S/C46H50ClN5O4/c1-29-11-12-30(2)52(29)17-6-18-54-42-10-5-7-37(31(42)3)38-8-4-9-40-39(38)14-15-43(40)56-45-23-44(55-28-34-20-32(24-48)19-33(21-34)25-49)35(22-41(45)47)26-50-36-13-16-46(53)51-27-36/h4-5,7-10,19-23,29-30,36,43,50H,6,11-18,26-28H2,1-3H3,(H,51,53)/t29?,30?,36-,43-/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

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