Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 9032   

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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	BDBM436107 (US10590105, Example 1001) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2cccnc2c1 |r| Show InChI InChI=1S/C35H31ClN4O5/c1-22-27(5-3-7-29(22)26-9-8-25-6-4-10-39-31(25)13-26)20-45-33-14-32(44-19-24-11-23(15-37)16-38-17-24)28(12-30(33)36)18-40-35(2,21-41)34(42)43/h3-14,16-17,40-41H,18-21H2,1-2H3,(H,42,43)/t35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	BDBM436127 (US10590105, Example 1018) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2ccoc2c1 Show InChI InChI=1S/C34H30ClN3O5/c1-21-26(5-4-6-28(21)25-8-7-24-9-10-41-30(24)13-25)20-43-32-14-31(42-19-23-11-22(15-36)16-37-17-23)27(12-29(32)35)18-38-34(2,3)33(39)40/h4-14,16-17,38H,18-20H2,1-3H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	BDBM436168 (US10590105, Example 2011) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)nccc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C |r| Show InChI InChI=1S/C41H46ClN5O6/c1-27-34(33-7-5-9-38(28(33)2)51-16-6-13-46-15-11-32(48)24-46)10-12-45-36(27)26-53-40-19-39(52-25-30-17-29(20-43)21-44-22-30)31(18-35(40)42)23-47-14-4-3-8-37(47)41(49)50/h5,7,9-10,12,17-19,21-22,32,37,48H,3-4,6,8,11,13-16,23-26H2,1-2H3,(H,49,50)/t32-,37+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	BDBM436171 (US10590105, Example 2014) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)nccc1-c1cccc(OCCCN2CCCCC2)c1C |r| Show InChI InChI=1S/C42H48ClN5O5/c1-29-35(34-10-8-12-39(30(34)2)51-19-9-17-47-15-5-3-6-16-47)13-14-46-37(29)28-53-41-22-40(52-27-32-20-31(23-44)24-45-25-32)33(21-36(41)43)26-48-18-7-4-11-38(48)42(49)50/h8,10,12-14,20-22,24-25,38H,3-7,9,11,15-19,26-28H2,1-2H3,(H,49,50)/t38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	BDBM436136 (US10590105, Example 1023) Show SMILES C[C@H]1CCCN1Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3scnc3c2)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C34H31ClN4O2S/c1-22-5-4-10-39(22)18-28-12-30(35)33(14-32(28)40-19-25-11-24(15-36)16-37-17-25)41-20-27-6-3-7-29(23(27)2)26-8-9-34-31(13-26)38-21-42-34/h3,6-9,11-14,16-17,21-22H,4-5,10,18-20H2,1-2H3/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	BDBM436126 (US10590105, Example 1017) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2ncoc2c1 |r| Show InChI InChI=1S/C33H29ClN4O6/c1-20-24(4-3-5-26(20)23-6-7-28-31(10-23)44-19-37-28)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	80	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)	BDBM436123 (US10590105, Example 1015) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2occc2c1 Show InChI InChI=1S/C34H30ClN3O5/c1-21-26(5-4-6-28(21)24-7-8-30-25(12-24)9-10-41-30)20-43-32-14-31(42-19-23-11-22(15-36)16-37-17-23)27(13-29(32)35)18-38-34(2,3)33(39)40/h4-14,16-17,38H,18-20H2,1-3H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	BDBM436134 (US10590105, Example 1022) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2scnc2c1 Show InChI InChI=1S/C33H29ClN4O4S/c1-20-24(5-4-6-26(20)23-7-8-31-28(11-23)37-19-43-31)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	80	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)	BDBM436114 (US10590105, Example 1008) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2ccncc2c1 |r| Show InChI InChI=1S/C35H31ClN4O5/c1-22-27(4-3-5-30(22)26-7-6-25-8-9-38-17-28(25)11-26)20-45-33-13-32(44-19-24-10-23(14-37)15-39-16-24)29(12-31(33)36)18-40-35(2,21-41)34(42)43/h3-13,15-17,40-41H,18-21H2,1-2H3,(H,42,43)/t35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	BDBM436116 (US10590105, Example 1009) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2cnccc2c1 |r| Show InChI InChI=1S/C35H31ClN4O5/c1-22-28(4-3-5-30(22)26-6-7-27-17-38-9-8-25(27)11-26)20-45-33-13-32(44-19-24-10-23(14-37)15-39-16-24)29(12-31(33)36)18-40-35(2,21-41)34(42)43/h3-13,15-17,40-41H,18-21H2,1-2H3,(H,42,43)/t35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	BDBM436119 (US10590105, Example 1011) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2ncsc2c1 |r| Show InChI InChI=1S/C33H29ClN4O5S/c1-20-24(4-3-5-26(20)23-6-7-28-31(10-23)44-19-37-28)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	80	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)	BDBM436147 (US10590105, Example 1033) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2nccnc2c1 |r| Show InChI InChI=1S/C36H32ClN5O4/c1-23-27(5-4-6-29(23)26-8-9-31-32(15-26)41-11-10-40-31)22-46-35-16-34(45-21-25-13-24(17-38)18-39-19-25)28(14-30(35)37)20-42-12-3-2-7-33(42)36(43)44/h4-6,8-11,13-16,18-19,33H,2-3,7,12,20-22H2,1H3,(H,43,44)/t33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	BDBM436121 (US10590105, Example 1013) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2occc2c1 |r| Show InChI InChI=1S/C34H30ClN3O6/c1-21-26(4-3-5-28(21)24-6-7-30-25(11-24)8-9-42-30)19-44-32-13-31(43-18-23-10-22(14-36)15-37-16-23)27(12-29(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	80	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)	BDBM436145 (US10590105, Example 1032) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2nccnc2c1 |r| Show InChI InChI=1S/C36H32ClN5O4/c1-23-27(5-4-6-29(23)26-8-9-31-32(15-26)41-11-10-40-31)22-46-35-16-34(45-21-25-13-24(17-38)18-39-19-25)28(14-30(35)37)20-42-12-3-2-7-33(42)36(43)44/h4-6,8-11,13-16,18-19,33H,2-3,7,12,20-22H2,1H3,(H,43,44)/t33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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)	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	US Patent	n/a	n/a	118	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)	BDBM436137 (US10590105, Example 1024) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2[nH]cnc2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	135	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)	BDBM436118 (US10590105, Example 1010) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1cnc2ccc(Br)cc2n1 |r| Show InChI InChI=1S/C34H29BrClN5O5/c1-20-23(4-3-5-26(20)30-16-39-28-7-6-25(35)10-29(28)41-30)18-46-32-11-31(45-17-22-8-21(12-37)13-38-14-22)24(9-27(32)36)15-40-34(2,19-42)33(43)44/h3-11,13-14,16,40,42H,15,17-19H2,1-2H3,(H,43,44)/t34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.57E+3	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)	BDBM436108 (US10590105, Example 1002) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C35H31ClN4O5/c1-22-26(7-5-8-29(22)27-11-25-6-3-4-9-31(25)39-17-27)20-45-33-13-32(44-19-24-10-23(14-37)15-38-16-24)28(12-30(33)36)18-40-35(2,21-41)34(42)43/h3-13,15-17,40-41H,18-21H2,1-2H3,(H,42,43)/t35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436109 (US10590105, Example 1003) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C37H33ClN4O4/c1-24-28(8-6-9-31(24)29-14-27-7-2-3-10-33(27)41-20-29)23-46-36-16-35(45-22-26-13-25(17-39)18-40-19-26)30(15-32(36)38)21-42-12-5-4-11-34(42)37(43)44/h2-3,6-10,13-16,18-20,34H,4-5,11-12,21-23H2,1H3,(H,43,44)/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436110 (US10590105, Example 1004) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C35H31ClN4O5/c1-22-26(7-5-8-28(22)31-11-10-25-6-3-4-9-30(25)40-31)20-45-33-14-32(44-19-24-12-23(15-37)16-38-17-24)27(13-29(33)36)18-39-35(2,21-41)34(42)43/h3-14,16-17,39,41H,18-21H2,1-2H3,(H,42,43)/t35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436111 (US10590105, Example 1005) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2ncccc2c1 |r| Show InChI InChI=1S/C35H31ClN4O5/c1-22-27(5-3-7-29(22)25-8-9-31-26(12-25)6-4-10-39-31)20-45-33-14-32(44-19-24-11-23(15-37)16-38-17-24)28(13-30(33)36)18-40-35(2,21-41)34(42)43/h3-14,16-17,40-41H,18-21H2,1-2H3,(H,42,43)/t35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436113 (US10590105, Example 1007) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1cc2ccccc2cn1 |r| Show InChI InChI=1S/C35H31ClN4O5/c1-22-27(8-5-9-29(22)31-12-25-6-3-4-7-26(25)17-39-31)20-45-33-13-32(44-19-24-10-23(14-37)15-38-16-24)28(11-30(33)36)18-40-35(2,21-41)34(42)43/h3-13,15-17,40-41H,18-21H2,1-2H3,(H,42,43)/t35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436151 (US10590105, Example 1037) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)cccc1-c1cccn(CCCN2CC[C@@H](O)C2)c1=O |r| Show InChI InChI=1S/C38H42ClN5O7/c1-25-28(6-3-7-31(25)32-8-4-11-44(36(32)47)12-5-10-43-13-9-30(46)21-43)23-51-35-16-34(50-22-27-14-26(17-40)18-41-19-27)29(15-33(35)39)20-42-38(2,24-45)37(48)49/h3-4,6-8,11,14-16,18-19,30,42,45-46H,5,9-10,12-13,20-24H2,1-2H3,(H,48,49)/t30-,38+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436122 (US10590105, Example 1014) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](CCCNC(N)=N)C(O)=O)cc2Cl)cccc1-c1ccc2occc2c1 |r| Show InChI InChI=1S/C36H35ClN6O5/c1-22-27(4-2-5-29(22)25-7-8-32-26(13-25)9-11-46-32)21-48-34-15-33(47-20-24-12-23(16-38)17-41-18-24)28(14-30(34)37)19-43-31(35(44)45)6-3-10-42-36(39)40/h2,4-5,7-9,11-15,17-18,31,43H,3,6,10,19-21H2,1H3,(H,44,45)(H4,39,40,42)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436152 (US10590105, Example 1038) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1cccn(CCCN2CC[C@@H](O)C2)c1=O |r| Show InChI InChI=1S/C38H42ClN5O7/c1-25-28(6-3-7-31(25)32-8-4-11-44(36(32)47)12-5-10-43-13-9-30(46)21-43)23-51-35-16-34(50-22-27-14-26(17-40)18-41-19-27)29(15-33(35)39)20-42-38(2,24-45)37(48)49/h3-4,6-8,11,14-16,18-19,30,42,45-46H,5,9-10,12-13,20-24H2,1-2H3,(H,48,49)/t30-,38-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436156 (US10590105, Example 1040) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](CO)C(O)=O)cc2Cl)cccc1-c1cccn(CCCN2CC[C@@H](O)C2)c1=O |r| Show InChI InChI=1S/C37H40ClN5O7/c1-24-27(5-2-6-30(24)31-7-3-10-43(36(31)46)11-4-9-42-12-8-29(45)20-42)23-50-35-15-34(49-22-26-13-25(16-39)17-40-18-26)28(14-32(35)38)19-41-33(21-44)37(47)48/h2-3,5-7,10,13-15,17-18,29,33,41,44-45H,4,8-9,11-12,19-23H2,1H3,(H,47,48)/t29-,33+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436167 (US10590105, Example 2009) Show SMILES Cc1nn(c(C)c1CN1CC[C@@H](O)C1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)c1C |r| Show InChI InChI=1S/C36H41ClN6O6/c1-22-27(6-5-7-32(22)43-24(3)30(23(2)41-43)18-42-9-8-29(45)17-42)20-49-34-12-33(48-19-26-10-25(13-38)14-39-15-26)28(11-31(34)37)16-40-36(4,21-44)35(46)47/h5-7,10-12,14-15,29,40,44-45H,8-9,16-21H2,1-4H3,(H,46,47)/t29-,36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436160 (US10590105, Example 2003) Show SMILES Cc1nn(CCCCN2CC[C@H](O)C2)c(C)c1-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)c1C |r,wU:40.42,wD:11.11,40.43,(6.22,-5.78,;4.75,-6.26,;4.28,-7.72,;2.74,-7.72,;1.83,-8.97,;2.46,-10.38,;1.55,-11.62,;2.18,-13.03,;1.27,-14.28,;1.75,-15.74,;.5,-16.65,;-.74,-15.74,;-2.21,-16.22,;-.27,-14.28,;2.26,-6.26,;.8,-5.78,;3.51,-5.35,;3.51,-3.81,;4.84,-3.04,;4.84,-1.5,;3.51,-.73,;2.17,-1.5,;.84,-.73,;.84,.81,;-.5,1.58,;-.5,3.12,;-1.83,3.89,;-1.83,5.43,;-3.16,6.2,;-3.16,7.74,;-1.83,8.51,;-1.83,10.05,;-3.16,10.82,;-4.5,10.05,;-4.5,8.51,;-5.83,10.82,;-7.16,11.59,;-3.16,3.12,;-4.5,3.89,;-4.5,5.43,;-5.83,6.2,;-6.6,4.86,;-5.06,7.53,;-5.83,8.86,;-7.16,6.97,;-7.16,8.51,;-8.5,6.2,;-3.16,1.58,;-1.83,.81,;-1.83,-.73,;2.17,-3.04,;.84,-3.81,)| Show InChI InChI=1S/C39H47ClN6O6/c1-25-30(8-7-9-33(25)37-26(2)44-46(27(37)3)12-6-5-11-45-13-10-32(48)21-45)23-52-36-16-35(51-22-29-14-28(17-41)18-42-19-29)31(15-34(36)40)20-43-39(4,24-47)38(49)50/h7-9,14-16,18-19,32,43,47-48H,5-6,10-13,20-24H2,1-4H3,(H,49,50)/t32-,39+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436144 (US10590105, Example 1031) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CO)cc2Cl)cccc1-c1cccc(OCCCN2CC[C@@H](O)C2)n1 |r| Show InChI InChI=1S/C34H35ClN4O5/c1-23-26(5-2-6-29(23)31-7-3-8-34(38-31)42-12-4-10-39-11-9-28(41)19-39)22-44-33-15-32(27(20-40)14-30(33)35)43-21-25-13-24(16-36)17-37-18-25/h2-3,5-8,13-15,17-18,28,40-41H,4,9-12,19-22H2,1H3/t28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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)	BDBM436143 (US10590105, Example 1030) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1cccc(OCCCN2CC[C@@H](O)C2)n1 |r| Show InChI InChI=1S/C40H44ClN5O6/c1-27-30(7-4-8-33(27)35-9-5-11-39(44-35)50-16-6-13-45-15-12-32(47)24-45)26-52-38-19-37(51-25-29-17-28(20-42)21-43-22-29)31(18-34(38)41)23-46-14-3-2-10-36(46)40(48)49/h4-5,7-9,11,17-19,21-22,32,36,47H,2-3,6,10,12-16,23-26H2,1H3,(H,48,49)/t32-,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	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

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