Compile Data Set for Download or QSAR

Found 542 hits Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1'   

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 protein 1 (Homo sapiens)	BDBM491057 (N-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(pyrid...) Show SMILES OC(=O)C1CCCN1Cc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCc1cccnc1 Show InChI InChI=1S/C31H28BrClN2O4/c32-30-23(10-4-11-25(30)22-8-2-1-3-9-22)20-39-29-16-28(38-19-21-7-5-13-34-17-21)24(15-26(29)33)18-35-14-6-12-27(35)31(36)37/h1-5,7-11,13,15-17,27H,6,12,14,18-20H2,(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.000500	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD US Patent					Assay Description In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Princip...				US Patent US10975049 (2021) BindingDB Entry DOI: 10.7270/Q20C4ZW5
					More data for this Ligand-Target Pair
Programmed cell death protein 1 [25-167,N33K], Immunoglobulin heavy constant gamma 1 [99-330,C104S,C109S,C112S,L118I,P121S]/Programmed cell death 1 ligand 1 [18-239,H172E] (Homo sapiens (Human))	BDBM507127 (US11046675, Example 1006) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c3CN(CC(O)=O)CCc3c2Cl)cccc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2377CVC
					More data for this Ligand-Target Pair
Programmed cell death protein 1 [25-167,N33K], Immunoglobulin heavy constant gamma 1 [99-330,C104S,C109S,C112S,L118I,P121S]/Programmed cell death 1 ligand 1 [18-239,H172E] (Homo sapiens (Human))	BDBM581058 (US11492375, Example 1120) Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCC\C=C/CCCC[C@H](N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC1=O)C(=O)NCC(N)=O)C(=O)N2C |r,c:10| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of the macrocyclic peptides of the present disclosure to bind to PD-L1 was investigated using a PD-1/PD-L1 Homogenous Time-Resolved Fluor...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6GQ7
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436120 (US10590105, Example 1012) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C33H29ClN4O6/c1-20-24(4-3-5-26(20)23-6-7-29-28(10-23)37-19-44-29)17-43-31-11-30(42-16-22-8-21(12-35)13-36-14-22)25(9-27(31)34)15-38-33(2,18-39)32(40)41/h3-11,13-14,19,38-39H,15-18H2,1-2H3,(H,40,41)/t33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436124 (US10590105, Example 1016) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2ncoc2c1 Show InChI InChI=1S/C33H29ClN4O5/c1-20-24(5-4-6-26(20)23-7-8-28-31(11-23)43-19-37-28)18-42-30-12-29(41-17-22-9-21(13-35)14-36-15-22)25(10-27(30)34)16-38-33(2,3)32(39)40/h4-12,14-15,19,38H,16-18H2,1-3H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436128 (US10590105, Example 1019) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2ccoc2c1 |r| Show InChI InChI=1S/C34H30ClN3O6/c1-21-26(4-3-5-28(21)25-7-6-24-8-9-42-30(24)12-25)19-44-32-13-31(43-18-23-10-22(14-36)15-37-16-23)27(11-29(32)35)17-38-34(2,20-39)33(40)41/h3-13,15-16,38-39H,17-20H2,1-2H3,(H,40,41)/t34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436130 (US10590105, Example 1020) Show SMILES C[C@H]1CCCN1Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3ccoc3c2)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C35H32ClN3O3/c1-23-5-4-11-39(23)20-30-14-32(36)35(16-34(30)41-21-26-13-25(17-37)18-38-19-26)42-22-29-6-3-7-31(24(29)2)28-9-8-27-10-12-40-33(27)15-28/h3,6-10,12-16,18-19,23H,4-5,11,20-22H2,1-2H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436133 (US10590105, Example 1021) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2scnc2c1 |r| Show InChI InChI=1S/C33H29ClN4O5S/c1-20-24(4-3-5-26(20)23-6-7-31-28(10-23)37-19-44-31)17-43-30-11-29(42-16-22-8-21(12-35)13-36-14-22)25(9-27(30)34)15-38-33(2,18-39)32(40)41/h3-11,13-14,19,38-39H,15-18H2,1-2H3,(H,40,41)/t33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436141 (US10590105, Example 1028) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2oc(CCN3CC[C@@H](O)C3)nc2c1 |r| Show InChI InChI=1S/C39H40ClN5O7/c1-24-28(4-3-5-31(24)27-6-7-34-33(14-27)44-37(52-34)9-11-45-10-8-30(47)20-45)22-51-36-15-35(50-21-26-12-25(16-41)17-42-18-26)29(13-32(36)40)19-43-39(2,23-46)38(48)49/h3-7,12-15,17-18,30,43,46-47H,8-11,19-23H2,1-2H3,(H,48,49)/t30-,39-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436142 (US10590105, Example 1029) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(CCN3CC[C@@H](O)C3)nc2c1 |r| Show InChI InChI=1S/C41H42ClN5O6/c1-26-30(5-4-6-33(26)29-8-9-37-35(17-29)45-40(53-37)11-14-46-13-10-32(48)23-46)25-52-39-18-38(51-24-28-15-27(19-43)20-44-21-28)31(16-34(39)42)22-47-12-3-2-7-36(47)41(49)50/h4-6,8-9,15-18,20-21,32,36,48H,2-3,7,10-14,22-25H2,1H3,(H,49,50)/t32-,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436148 (US10590105, Example 1034) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@H](CO)C(O)=O)cc2Cl)cccc1-c1ccc2nccnc2c1 |r| Show InChI InChI=1S/C33H28ClN5O5/c1-20-24(3-2-4-26(20)23-5-6-28-29(11-23)38-8-7-37-28)19-44-32-12-31(43-18-22-9-21(13-35)14-36-15-22)25(10-27(32)34)16-39-30(17-40)33(41)42/h2-12,14-15,30,39-40H,16-19H2,1H3,(H,41,42)/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436149 (US10590105, Example 1035) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2nccnc2c1 |r| Show InChI InChI=1S/C34H30ClN5O5/c1-21-25(4-3-5-27(21)24-6-7-29-30(12-24)39-9-8-38-29)19-45-32-13-31(44-18-23-10-22(14-36)15-37-16-23)26(11-28(32)35)17-40-34(2,20-41)33(42)43/h3-13,15-16,40-41H,17-20H2,1-2H3,(H,42,43)/t34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436150 (US10590105, Example 1036) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2nccnc2c1 |r| Show InChI InChI=1S/C34H30ClN5O5/c1-21-25(4-3-5-27(21)24-6-7-29-30(12-24)39-9-8-38-29)19-45-32-13-31(44-18-23-10-22(14-36)15-37-16-23)26(11-28(32)35)17-40-34(2,20-41)33(42)43/h3-13,15-16,40-41H,17-20H2,1-2H3,(H,42,43)/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436157 (US10590105, Example 1041) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C35H31ClN4O5/c1-22-26(5-4-6-28(22)25-8-9-32-30(13-25)39-21-45-32)20-44-34-14-33(43-19-24-11-23(15-37)16-38-17-24)27(12-29(34)36)18-40-10-3-2-7-31(40)35(41)42/h4-6,8-9,11-14,16-17,21,31H,2-3,7,10,18-20H2,1H3,(H,41,42)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436158 (US10590105, Example 2001) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)cccc1-c1ccnc(OCCCN2CCCCC2)c1Cl Show InChI InChI=1S/C39H45Cl2N5O5/c1-27-30(8-6-9-32(27)33-10-11-44-38(37(33)41)49-15-7-14-46-12-4-3-5-13-46)24-51-36-18-35(50-23-29-16-28(19-42)20-43-21-29)31(17-34(36)40)22-45-39(2,25-47)26-48/h6,8-11,16-18,20-21,45,47-48H,3-5,7,12-15,22-26H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436159 (US10590105, Example 2002) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)cccc1-c1nccc(OCCCN2CC[C@@H](O)C2)c1Cl |r| Show InChI InChI=1S/C38H43Cl2N5O6/c1-25-28(5-3-6-31(25)37-36(40)33(7-9-43-37)49-12-4-10-45-11-8-30(48)20-45)22-51-35-15-34(50-21-27-13-26(16-41)17-42-18-27)29(14-32(35)39)19-44-38(2,23-46)24-47/h3,5-7,9,13-15,17-18,30,44,46-48H,4,8,10-12,19-24H2,1-2H3/t30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436161 (US10590105, Example 2004) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)cccc1-c1nccc(OCCCO)c1Cl Show InChI InChI=1S/C34H36Cl2N4O6/c1-22-25(5-3-6-27(22)33-32(36)29(7-8-39-33)44-10-4-9-41)19-46-31-13-30(45-18-24-11-23(14-37)15-38-16-24)26(12-28(31)35)17-40-34(2,20-42)21-43/h3,5-8,11-13,15-16,40-43H,4,9-10,17-21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436163 (US10590105, Example 2005) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cncc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C |r| Show InChI InChI=1S/C41H46ClN5O6/c1-27-32(21-45-22-35(27)34-7-5-9-38(28(34)2)51-14-6-11-46-13-10-33(48)24-46)26-53-40-17-39(52-25-30-15-29(18-43)19-44-20-30)31(16-36(40)42)23-47-12-4-3-8-37(47)41(49)50/h5,7,9,15-17,19-22,33,37,48H,3-4,6,8,10-14,23-26H2,1-2H3,(H,49,50)/t33-,37+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436166 (US10590105, Example 2008) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)cncc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C |r| Show InChI InChI=1S/C39H46ClN5O6/c1-26-31(18-43-20-34(26)33-6-4-7-36(27(33)2)49-11-5-9-45-10-8-32(48)21-45)23-51-38-14-37(50-22-29-12-28(15-41)16-42-17-29)30(13-35(38)40)19-44-39(3,24-46)25-47/h4,6-7,12-14,16-18,20,32,44,46-48H,5,8-11,19,21-25H2,1-3H3/t32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436169 (US10590105, Example 2012) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)nccc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C |r| Show InChI InChI=1S/C39H44ClN5O7/c1-25-32(31-6-4-7-35(26(31)2)50-13-5-11-45-12-9-30(47)21-45)8-10-43-34(25)23-52-37-16-36(51-22-28-14-27(17-41)18-42-19-28)29(15-33(37)40)20-44-39(3,24-46)38(48)49/h4,6-8,10,14-16,18-19,30,44,46-47H,5,9,11-13,20-24H2,1-3H3,(H,48,49)/t30-,39+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436170 (US10590105, Example 2013) Show SMILES CCC(CO)(CO)NCc1cc(Cl)c(OCc2nccc(c2C)-c2cccc(OCCCN3CC[C@@H](O)C3)c2C)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C40H48ClN5O6/c1-4-40(25-47,26-48)45-21-31-16-35(41)39(17-38(31)51-23-30-15-29(18-42)19-43-20-30)52-24-36-27(2)34(9-11-44-36)33-7-5-8-37(28(33)3)50-14-6-12-46-13-10-32(49)22-46/h5,7-9,11,15-17,19-20,32,45,47-49H,4,6,10,12-14,21-26H2,1-3H3/t32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436172 (US10590105, Example 2015) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)nccc1-c1cccc(OCCCN2CCCCC2)c1C |r| Show InChI InChI=1S/C40H46ClN5O6/c1-27-33(32-9-7-10-36(28(32)2)50-16-8-15-46-13-5-4-6-14-46)11-12-44-35(27)25-52-38-19-37(51-24-30-17-29(20-42)21-43-22-30)31(18-34(38)41)23-45-40(3,26-47)39(48)49/h7,9-12,17-19,21-22,45,47H,4-6,8,13-16,23-26H2,1-3H3,(H,48,49)/t40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM436173 (US10590105, Example 2016) Show SMILES CCC(CO)(CO)NCc1cc(Cl)c(OCc2nccc(c2C)-c2cccc(OCCCN3CCCCC3)c2C)cc1OCc1cncc(c1)C#N Show InChI InChI=1S/C41H50ClN5O5/c1-4-41(27-48,28-49)46-24-33-19-36(42)40(20-39(33)51-25-32-18-31(21-43)22-44-23-32)52-26-37-29(2)35(12-13-45-37)34-10-8-11-38(30(34)3)50-17-9-16-47-14-6-5-7-15-47/h8,10-13,18-20,22-23,46,48-49H,4-7,9,14-17,24-28H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Meyers 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 US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482402 (US10919852, Compound TABLE 1.101 | US11708326, Com...) Show SMILES CC(C)OC(=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/C42H46Cl2N4O7/c1-26(2)54-41(51)42(3,25-49)47-21-29-16-35(43)39(17-38(29)53-24-28-15-27(18-45)19-46-20-28)55-36-12-11-32-31(7-4-8-33(32)36)34-9-5-10-37(40(34)44)52-14-6-13-48-22-30(50)23-48/h4-5,7-10,15-17,19-20,26,30,36,47,49-50H,6,11-14,21-25H2,1-3H3/t36-,42-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482403 (US10919852, Compound TABLE 1.102 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CC(F)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNCC2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C41H43ClFN5O4/c1-26-32(5-3-8-37(26)50-14-4-13-48-23-30(43)24-48)33-6-2-7-35-34(33)10-11-38(35)52-40-17-39(51-25-28-15-27(18-44)19-45-20-28)29(16-36(40)42)21-46-22-31-9-12-41(49)47-31/h2-3,5-8,15-17,19-20,30-31,38,46H,4,9-14,21-25H2,1H3,(H,47,49)/t31?,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482404 (US10919852, Compound TABLE 1.103 | US11708326, Com...) Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@@H](Oc4cc(OCc5cc(cc(c5)C#N)C#N)c(CNC[C@H]5CCC(=O)N5)cc4Cl)[C@@H](F)Cc23)C1 |r| Show InChI InChI=1S/C42H40Cl2FN5O5/c43-35-15-28(20-48-21-29-8-9-40(52)49-29)38(54-24-27-13-25(18-46)12-26(14-27)19-47)17-39(35)55-42-33-6-1-4-31(34(33)16-36(42)45)32-5-2-7-37(41(32)44)53-11-3-10-50-22-30(51)23-50/h1-2,4-7,12-15,17,29-30,36,42,48,51H,3,8-11,16,20-24H2,(H,49,52)/t29-,36+,42-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482405 (US10919852, Compound TABLE 1.104 | US11708326, Com...) Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2[C@@H](F)Cc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cc(cc(c1)C#N)C#N)C(O)=O |r| Show InChI InChI=1S/C41H39Cl2FN4O7/c1-41(23-49,40(51)52)47-19-27-14-33(42)37(16-36(27)54-22-26-12-24(17-45)11-25(13-26)18-46)55-39-31-7-2-5-29(32(31)15-34(39)44)30-6-3-8-35(38(30)43)53-10-4-9-48-20-28(50)21-48/h2-3,5-8,11-14,16,28,34,39,47,49-50H,4,9-10,15,19-23H2,1H3,(H,51,52)/t34-,39+,41-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	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	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482432 (US10919852, Compound TABLE 1.131 | US11708326, Com...) Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCOCC3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C40H42Cl2N4O7/c1-40(25-47,39(48)49)45-23-28-18-33(41)37(19-36(28)52-24-27-17-26(20-43)21-44-22-27)53-34-10-9-30-29(5-2-6-31(30)34)32-7-3-8-35(38(32)42)51-14-4-11-46-12-15-50-16-13-46/h2-3,5-8,17-19,21-22,34,45,47H,4,9-16,23-25H2,1H3,(H,48,49)/t34-,40?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482433 (US10919852, Compound TABLE 1.132) Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C38H40Cl3N3O7/c1-38(22-45,37(47)48)43-17-24-14-31(40)35(15-34(24)50-21-23-13-25(39)18-42-16-23)51-32-10-9-28-27(5-2-6-29(28)32)30-7-3-8-33(36(30)41)49-12-4-11-44-19-26(46)20-44/h2-3,5-8,13-16,18,26,32,43,45-46H,4,9-12,17,19-22H2,1H3,(H,47,48)/t32-,38?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482434 (US10919852, Compound TABLE 1.133 | US11708326, Com...) Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(F)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C39H39Cl2FN4O6/c1-39(23-47,38(48)49)45-19-26-14-32(40)36(15-35(26)51-22-25-13-24(16-43)17-44-18-25)52-33-10-9-29-28(5-2-6-30(29)33)31-7-3-8-34(37(31)41)50-12-4-11-46-20-27(42)21-46/h2-3,5-8,13-15,17-18,27,33,45,47H,4,9-12,19-23H2,1H3,(H,48,49)/t33-,39?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482435 (US10919852, Compound TABLE 1.134) Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cc(F)cc3-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)45-18-25-11-32(40)36(14-35(25)52-21-24-10-23(15-43)16-44-17-24)53-33-7-6-28-30(12-26(42)13-31(28)33)29-4-2-5-34(37(29)41)51-9-3-8-46-19-27(48)20-46/h2,4-5,10-14,16-17,27,33,45,47-48H,3,6-9,18-22H2,1H3,(H,49,50)/t33-,39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482436 (US10919852, Compound TABLE 1.135 | US11708326, Com...) Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(O)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C42H44Cl2N4O7/c1-41(25-49,40(51)52)47-21-28-14-34(43)38(15-37(28)54-22-27-13-26(18-45)19-46-20-27)55-35-10-9-31-30(5-2-6-32(31)35)33-7-3-8-36(39(33)44)53-12-4-11-48-23-42(24-48)16-29(50)17-42/h2-3,5-8,13-15,19-20,29,35,47,49-50H,4,9-12,16-17,21-25H2,1H3,(H,51,52)/t35-,41?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482437 (US10919852, Compound TABLE 1.136 | US11708326, Com...) Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C42H43Cl2FN4O6/c1-41(25-50,40(51)52)48-21-28-14-34(43)38(15-37(28)54-22-27-13-26(18-46)19-47-20-27)55-35-10-9-31-30(5-2-6-32(31)35)33-7-3-8-36(39(33)44)53-12-4-11-49-23-42(24-49)16-29(45)17-42/h2-3,5-8,13-15,19-20,29,35,48,50H,4,9-12,16-17,21-25H2,1H3,(H,51,52)/t35-,41?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482438 (US10919852, Compound TABLE 1.137 | US11708326, Com...) Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CCCC4(C3)NC(=O)NC4=O)cc2Cl)C1 |r| Show InChI InChI=1S/C42H42Cl2N6O6/c43-34-16-28(21-50-12-3-11-42(25-50)40(52)47-41(53)48-42)37(55-24-27-15-26(18-45)19-46-20-27)17-38(34)56-35-10-9-31-30(5-1-6-32(31)35)33-7-2-8-36(39(33)44)54-14-4-13-49-22-29(51)23-49/h1-2,5-8,15-17,19-20,29,35,51H,3-4,9-14,21-25H2,(H2,47,48,52,53)/t35-,42?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482440 (US10919852, Compound TABLE 1.139 | US11708326, Com...) Show SMILES OC1CN(CCCOc2cccc(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/C41H44Cl2N4O5/c42-34-17-28(22-46-35-9-1-2-10-36(35)49)39(51-25-27-16-26(19-44)20-45-21-27)18-40(34)52-37-13-12-31-30(6-3-7-32(31)37)33-8-4-11-38(41(33)43)50-15-5-14-47-23-29(48)24-47/h3-4,6-8,11,16-18,20-21,29,35-37,46,48-49H,1-2,5,9-10,12-15,22-25H2/t35-,36+,37+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482441 (US10919852, Compound TABLE 1.140) Show SMILES FC1CCN(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/C42H44Cl2FN5O4/c43-36-19-29(24-48-25-31-8-11-41(51)49-31)39(53-26-28-18-27(21-46)22-47-23-28)20-40(36)54-37-10-9-33-32(4-1-5-34(33)37)35-6-2-7-38(42(35)44)52-17-3-14-50-15-12-30(45)13-16-50/h1-2,4-7,18-20,22-23,30-31,37,48H,3,8-17,24-26H2,(H,49,51)/t31-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482442 (US10919852, Compound TABLE 1.141 | US11708326, Com...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(=O)NS(C)(=O)=O |r| Show InChI InChI=1S/C40H43Cl2N5O8S/c1-24(48)39(40(50)46-56(2,51)52)45-20-27-15-33(41)37(16-36(27)54-23-26-14-25(17-43)18-44-19-26)55-34-11-10-30-29(6-3-7-31(30)34)32-8-4-9-35(38(32)42)53-13-5-12-47-21-28(49)22-47/h3-4,6-9,14-16,18-19,24,28,34,39,45,48-49H,5,10-13,20-23H2,1-2H3,(H,46,50)/t24-,34+,39+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482443 (US10919852, Compound TABLE 1.142 | US11708326, Com...) Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CC(O)C3)cc2Cl)C1 |r| Show InChI InChI=1S/C38H38Cl2N4O5/c39-33-13-26(18-44-21-28(46)22-44)36(48-23-25-12-24(15-41)16-42-17-25)14-37(33)49-34-9-8-30-29(4-1-5-31(30)34)32-6-2-7-35(38(32)40)47-11-3-10-43-19-27(45)20-43/h1-2,4-7,12-14,16-17,27-28,34,45-46H,3,8-11,18-23H2/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
					More data for this Ligand-Target Pair

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