Compile Data Set for Download or QSAR

Found 2452 hits Enz. Inhib. hit(s) with Target = 'Programmed cell death 1 ligand/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 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50604885 (CHEMBL5177177) Show SMILES Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114327 BindingDB Entry DOI: 10.7270/Q2NP28GR
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50587715 (CHEMBL5202283) Show SMILES OC(=O)[C@@H]1CCCCN1Cc1ccc(CCc2cccc(c2Br)-c2ccccc2)cc1OCc1ccnc(c1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113170 BindingDB Entry DOI: 10.7270/Q2M049CC
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50507505 (CHEMBL4529967) Show SMILES OC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(CCc2cccc(c2Br)-c2ccccc2)cc1OCc1ccnc(c1)C#N |r| Show InChI InChI=1S/C34H31BrClN3O3/c35-33-25(9-6-10-29(33)24-7-2-1-3-8-24)12-13-26-19-32(42-22-23-14-15-38-28(17-23)20-37)27(18-30(26)36)21-39-16-5-4-11-31(39)34(40)41/h1-3,6-10,14-15,17-19,31H,4-5,11-13,16,21-22H2,(H,40,41)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PD1 (25 to 167 residues)/human PDL1 (19 to 238 residues) interaction after 40 mins by HTRF assay				J Med Chem 62: 1715-1730 (2019) Article DOI: 10.1021/acs.jmedchem.8b00990 BindingDB Entry DOI: 10.7270/Q26976VX
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM491037 ((S)—N-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(p...) Show SMILES OC[C@H](NCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCc1cccnc1)C(O)=O |r| Show InChI InChI=1S/C29H26BrClN2O5/c30-28-21(9-4-10-23(28)20-7-2-1-3-8-20)18-38-27-13-26(37-17-19-6-5-11-32-14-19)22(12-24(27)31)15-33-25(16-34)29(35)36/h1-14,25,33-34H,15-18H2,(H,35,36)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.000100	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 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM575561 (N,N'-(2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis...) Show SMILES COc1cc(ncc1CNCC1(O)CC1)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CNCC3(O)CC3)cn2)c1C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...				Citation and Details BindingDB Entry DOI: 10.7270/Q23R0X3N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM575599 ((1s,1's,3s,3's)-3,3'-((((((2,2'- dimethyl-[1,1'-bi...) Show SMILES COc1cc(ncc1CN[C@H]1C[C@H](C1)C(O)=O)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H]3C[C@H](C3)C(O)=O)cn2)c1C |r,wU:43.45,10.10,45.50,12.15,(11.34,-1.92,;11.34,-.38,;10,.39,;8.67,-.38,;7.34,.39,;7.34,1.93,;8.67,2.7,;10,1.93,;11.34,2.7,;12.67,1.93,;14,2.7,;14.4,4.18,;15.89,3.78,;15.49,2.3,;17.22,4.55,;18.56,3.78,;17.22,6.09,;6,-.38,;6,-1.92,;4.67,.39,;3.33,-.38,;3.33,-1.92,;2,-2.69,;.67,-1.92,;.67,-.38,;2,.39,;2,1.93,;-.67,.39,;-.67,1.93,;-2,2.7,;-3.33,1.93,;-3.33,.39,;-4.67,-.38,;-6,.39,;-6,1.93,;-7.34,-.38,;-8.67,.39,;-10,-.38,;-11.34,.39,;-11.34,1.93,;-10,-1.92,;-11.34,-2.69,;-12.67,-1.92,;-14,-2.7,;-14.4,-4.18,;-15.89,-3.78,;-15.49,-2.3,;-17.22,-4.55,;-18.56,-3.78,;-17.22,-6.09,;-8.67,-2.69,;-7.34,-1.92,;-2,-.38,;-2,-1.92,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...				Citation and Details BindingDB Entry DOI: 10.7270/Q23R0X3N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50587714 (CHEMBL5182195) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](CCO)C(O)=O)cc2Cl)cccc1-c1cccc(COc2cc(OCc3cccnc3)c(CN[C@@H](CCO)C(O)=O)cc2Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113170 BindingDB Entry DOI: 10.7270/Q2M049CC
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM575553 (N,N'-(2,2'-dimethyl-[1,1'-biphenyl]- 3,3'-diyl)bis...) Show SMILES COc1cc(ncc1CN(C)CCO)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN(C)CCO)cn2)c1C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...				Citation and Details BindingDB Entry DOI: 10.7270/Q23R0X3N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50567288 (CHEMBL4865838) Show SMILES CS(=O)(=O)c1cncc(COc2nc(O[C@H]3CCc4c3cccc4-c3cccc4[C@H](CCc34)Oc3nc(OCc4cncc(c4)S(C)(=O)=O)c(CN4C[C@@H](O)C[C@H]4C(O)=O)cc3Cl)c(Cl)cc2CN2C[C@@H](O)C[C@H]2C(O)=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD1/PD-L1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116370 BindingDB Entry DOI: 10.7270/Q2DN48S1
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50567287 (CHEMBL4862360) Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc3[C@H](CCc23)Oc2nc(OCc3cncc(c3)S(C)(=O)=O)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)nc1OCc1cncc(c1)S(C)(=O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD1/PD-L1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116370 BindingDB Entry DOI: 10.7270/Q2DN48S1
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451887 (US10710986, Example 26 | US11555029, No. 26) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2cnn(CCO)c2)c(OC)n1 |r| Show InChI InChI=1S/C35H37Cl2N9O4/c1-49-34-29(16-38-13-21-14-42-46(20-21)11-12-47)40-18-27(44-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-19-41-30(35(45-28)50-2)17-39-15-22-9-10-31(48)43-22/h3-8,14,18-20,22,38-39,47H,9-13,15-17H2,1-2H3,(H,43,48)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452007 (US10710986, Example 147 | US11555029, No. 147) Show SMILES COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 Show InChI InChI=1S/C32H34Cl2N6O4/c1-31(41)15-39(16-31)13-25-29(43-3)37-23(11-35-25)21-9-5-7-19(27(21)33)20-8-6-10-22(28(20)34)24-12-36-26(30(38-24)44-4)14-40-17-32(2,42)18-40/h5-12,41-42H,13-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452113 (US10710986, Example 252 | US11555029, No. 252) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(F)(CO)C2)c(OC)n1 |r| Show InChI InChI=1S/C33H34Cl2FN7O4/c1-46-31-26(12-37-11-19-9-10-28(45)40-19)38-13-24(41-31)22-7-3-5-20(29(22)34)21-6-4-8-23(30(21)35)25-14-39-27(32(42-25)47-2)15-43-16-33(36,17-43)18-44/h3-8,13-14,19,37,44H,9-12,15-18H2,1-2H3,(H,40,45)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452147 (US10710986, Example 286 | US11555029, No. 286) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)CCS(=O)(=O)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H37Cl2N7O6S/c1-48-32-27(14-37-13-20-9-10-29(44)41-20)39-16-25(42-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-17-40-28(33(43-26)49-2)15-38-18-34(45)11-12-50(46,47)19-34/h3-8,16-17,20,37-38,45H,9-15,18-19H2,1-2H3,(H,41,44)/t20-,34?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452150 (US10710986, Example 289 | US11555029, No. 289) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(CC(O)C3)C2)c(OC)n1 |r| Show InChI InChI=1S/C35H37Cl2N7O4/c1-47-33-28(14-38-13-20-9-10-30(46)41-20)39-15-26(42-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-16-40-29(34(43-27)48-2)17-44-18-35(19-44)11-21(45)12-35/h3-8,15-16,20-21,38,45H,9-14,17-19H2,1-2H3,(H,41,46)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452008 (US10710986, Example 148 | US11555029, No. 148) Show SMILES COc1nc(cnc1CN1CC(C)(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(CO)C2)c(OC)n1 Show InChI InChI=1S/C34H38Cl2N6O4/c1-33(19-43)15-41(16-33)13-27-31(45-3)39-25(11-37-27)23-9-5-7-21(29(23)35)22-8-6-10-24(30(22)36)26-12-38-28(32(40-26)46-4)14-42-17-34(2,18-42)20-44/h5-12,43-44H,13-20H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452467 (US10710986, Example 608 | US11555029, No. 608) Show SMILES CCn1cc(CN2CC3(C2)CN(C3)C(C)=O)c2ncc(nc12)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 Show InChI InChI=1S/C41H43Cl2N9O3/c1-5-50-15-27(14-48-17-40(18-48)21-51(22-40)25(2)53)37-38(50)46-32(13-45-37)30-10-6-8-28(35(30)42)29-9-7-11-31(36(29)43)33-12-44-34(39(47-33)55-4)16-49-19-41(20-49)23-52(24-41)26(3)54/h6-13,15H,5,14,16-24H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452471 (US10710986, Example 612 | US11555029, No. 612) Show SMILES COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CN(C4)C(C)=O)cn(C)c2n1 Show InChI InChI=1S/C40H41Cl2N9O3/c1-24(52)50-20-39(21-50)16-48(17-39)14-26-13-47(3)37-36(26)44-12-31(45-37)29-9-5-7-27(34(29)41)28-8-6-10-30(35(28)42)32-11-43-33(38(46-32)54-4)15-49-18-40(19-49)22-51(23-40)25(2)53/h5-13H,14-23H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452476 (US10710986, Example 617 | US11555029, No. 617) Show SMILES COc1nc(ccc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 Show InChI InChI=1S/C39H41ClFN7O4/c1-24(49)47-20-38(21-47)16-45(17-38)14-26-11-12-31(43-36(26)51-3)29-9-5-7-27(34(29)40)28-8-6-10-30(35(28)41)32-13-42-33(37(44-32)52-4)15-46-18-39(19-46)22-48(23-39)25(2)50/h5-13H,14-23H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452477 (US10710986, Example 618 | US11555029, No. 618) Show SMILES COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1 Show InChI InChI=1S/C37H37ClFN7O4/c1-49-34-22(16-45-18-36(19-45)13-11-30(47)43-36)9-10-27(41-34)25-7-3-5-23(32(25)38)24-6-4-8-26(33(24)39)28-15-40-29(35(42-28)50-2)17-46-20-37(21-46)14-12-31(48)44-37/h3-10,15H,11-14,16-21H2,1-2H3,(H,43,47)(H,44,48)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452482 (US10710986, Example 623 | US11555029, No. 623) Show SMILES COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452485 (US10710986, Example 626 | US11555029, No. 626) Show SMILES COc1nc(cnc1CN1CC[C@@H](CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](CO)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H38Cl2N6O4/c1-45-33-29(17-41-11-9-21(15-41)19-43)37-13-27(39-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-14-38-30(34(40-28)46-2)18-42-12-10-22(16-42)20-44/h3-8,13-14,21-22,43-44H,9-12,15-20H2,1-2H3/t21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452487 (US10710986, Example 628 | US11555029, No. 628) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C36H39Cl2N7O4/c1-20-14-28(44-35(48-2)27(20)17-39-15-21-10-12-31(46)42-21)25-8-4-6-23(33(25)37)24-7-5-9-26(34(24)38)29-19-41-30(36(45-29)49-3)18-40-16-22-11-13-32(47)43-22/h4-9,14,19,21-22,39-40H,10-13,15-18H2,1-3H3,(H,42,46)(H,43,47)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452490 (US10710986, Example 631 | US11555029, No. 631) Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H36Cl2N6O4/c1-34(44)18-42(19-34)17-28-33(46-3)41-27(16-38-28)25-9-5-7-23(31(25)36)22-6-4-8-24(30(22)35)26-12-10-20(32(40-26)45-2)14-37-15-21-11-13-29(43)39-21/h4-10,12,16,21,37,44H,11,13-15,17-19H2,1-3H3,(H,39,43)/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452492 (US10710986, Example 633 | US11555029, No. 633) Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 |r| Show InChI InChI=1S/C36H37Cl2N7O4/c1-48-34-21(14-39-15-22-10-12-30(46)42-22)9-11-27(43-34)25-7-3-5-23(32(25)37)24-6-4-8-26(33(24)38)28-16-40-29(35(44-28)49-2)17-45-19-36(20-45)13-31(47)41-18-36/h3-9,11,16,22,39H,10,12-15,17-20H2,1-2H3,(H,41,47)(H,42,46)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452493 (US10710986, Example 634 | US11555029, No. 634) Show SMILES COc1nc(cnc1CN1CCC(CO)(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(CO)(CO)C2)c(OC)n1 Show InChI InChI=1S/C36H42Cl2N6O6/c1-49-33-29(15-43-11-9-35(17-43,19-45)20-46)39-13-27(41-33)25-7-3-5-23(31(25)37)24-6-4-8-26(32(24)38)28-14-40-30(34(42-28)50-2)16-44-12-10-36(18-44,21-47)22-48/h3-8,13-14,45-48H,9-12,15-22H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452370 (US10710986, Example 513 | US11555029, No. 513) Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(O)=O)c(OC)n1 |r| Show InChI InChI=1S/C35H36Cl2N6O5/c1-47-33-20(15-38-16-22-10-12-30(44)40-22)9-11-27(41-33)25-7-3-5-23(31(25)36)24-6-4-8-26(32(24)37)28-17-39-29(34(42-28)48-2)19-43-14-13-21(18-43)35(45)46/h3-9,11,17,21-22,38H,10,12-16,18-19H2,1-2H3,(H,40,44)(H,45,46)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452373 (US10710986, Example 516 | US11555029, No. 516) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](O)[C@@H]2C)c(OC)n1 |r| Show InChI InChI=1S/C34H37Cl2N7O4/c1-19-29(44)12-13-43(19)18-28-34(47-3)42-26(17-39-28)24-9-5-7-22(32(24)36)21-6-4-8-23(31(21)35)25-16-38-27(33(41-25)46-2)15-37-14-20-10-11-30(45)40-20/h4-9,16-17,19-20,29,37,44H,10-15,18H2,1-3H3,(H,40,45)/t19-,20-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452380 (US10710986, Example 522 | US11555029, No. 522) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(CCO)CCO)c(OC)n1 |r| Show InChI InChI=1S/C33H37Cl2N7O5/c1-46-32-27(16-36-15-20-9-10-29(45)39-20)37-17-25(40-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-18-38-28(33(41-26)47-2)19-42(11-13-43)12-14-44/h3-8,17-18,20,36,43-44H,9-16,19H2,1-2H3,(H,39,45)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452434 (US10710986, Example 575 | US11555029, No. 575) Show SMILES COc1nc(cnc1CNCCNS(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCNS(C)(=O)=O)c(OC)n1 Show InChI InChI=1S/C30H36Cl2N8O6S2/c1-45-29-25(15-33-11-13-37-47(3,41)42)35-17-23(39-29)21-9-5-7-19(27(21)31)20-8-6-10-22(28(20)32)24-18-36-26(30(40-24)46-2)16-34-12-14-38-48(4,43)44/h5-10,17-18,33-34,37-38H,11-16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452436 (US10710986, Example 577 | US11555029, No. 577) Show SMILES COc1nc(cnc1CNCCCS(N)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C32H36Cl2N8O5S/c1-46-31-26(15-36-12-5-13-48(35,44)45)38-17-24(41-31)22-8-3-6-20(29(22)33)21-7-4-9-23(30(21)34)25-18-39-27(32(42-25)47-2)16-37-14-19-10-11-28(43)40-19/h3-4,6-9,17-19,36-37H,5,10-16H2,1-2H3,(H,40,43)(H2,35,44,45)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452442 (US10710986, Example 583 | US11555029, No. 583) Show SMILES COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1 |t:31| Show InChI InChI=1S/C27H24Cl2N6O2/c1-36-26-19(25-31-11-12-32-25)9-10-20(34-26)17-7-3-5-15(23(17)28)16-6-4-8-18(24(16)29)22-14-33-21(13-30)27(35-22)37-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM575483 (US11459339, Example 2 | US11459339, Example 4) Show SMILES COC(=O)[C@@H](CO)NCc1cnc(cc1OC)C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c2cc(OC)c(CN[C@H](CO)C(=O)OC)cn2)c1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by t...				Citation and Details BindingDB Entry DOI: 10.7270/Q23R0X3N
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452500 (US10710986, Example 641 | US11555029, No. 641) Show SMILES COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 |t:41| Show InChI InChI=1S/C33H31Cl2N7O3/c1-44-31-19(16-42-17-33(18-42)12-11-26(43)41-33)9-10-24(39-31)22-7-3-5-20(27(22)34)21-6-4-8-23(28(21)35)25-15-38-29(32(40-25)45-2)30-36-13-14-37-30/h3-10,15H,11-14,16-18H2,1-2H3,(H,36,37)(H,41,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452501 (US10710986, Example 642 | US11555029, No. 642) Show SMILES COc1nc(ccc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 |t:37| Show InChI InChI=1S/C31H30Cl2N6O3/c1-31(40)16-39(17-31)15-18-10-11-23(37-29(18)41-2)21-8-4-6-19(25(21)32)20-7-5-9-22(26(20)33)24-14-36-27(30(38-24)42-3)28-34-12-13-35-28/h4-11,14,40H,12-13,15-17H2,1-3H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452502 (US10710986, Example 643 | US11555029, No. 643) Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@H](C)N2)c(OC)n1 |r,t:39| Show InChI InChI=1S/C33H33Cl2N7O3/c1-18-14-38-31(39-18)30-33(45-3)42-26(17-37-30)24-9-5-7-22(29(24)35)21-6-4-8-23(28(21)34)25-12-10-19(32(41-25)44-2)15-36-16-20-11-13-27(43)40-20/h4-10,12,17-18,20,36H,11,13-16H2,1-3H3,(H,38,39)(H,40,43)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452504 (US10710986, Example 645 | US11555029, No. 645) Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 |r,t:39| Show InChI InChI=1S/C32H31Cl2N7O3/c1-43-31-18(15-35-16-19-10-12-26(42)39-19)9-11-24(40-31)22-7-3-5-20(27(22)33)21-6-4-8-23(28(21)34)25-17-38-29(32(41-25)44-2)30-36-13-14-37-30/h3-9,11,17,19,35H,10,12-16H2,1-2H3,(H,36,37)(H,39,42)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452505 (US10710986, Example 646 | US11555029, No. 646) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@H](C)N2)c(OC)n1 |r,t:39| Show InChI InChI=1S/C32H32Cl2N8O3/c1-17-12-38-30(39-17)29-32(45-3)42-24(16-37-29)22-9-5-7-20(28(22)34)19-6-4-8-21(27(19)33)23-15-36-25(31(41-23)44-2)14-35-13-18-10-11-26(43)40-18/h4-9,15-18,35H,10-14H2,1-3H3,(H,38,39)(H,40,43)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452506 (US10710986, Example 647 | US11555029, No. 647) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@@H](C)N2)c(OC)n1 |r,t:39| Show InChI InChI=1S/C32H32Cl2N8O3/c1-17-12-38-30(39-17)29-32(45-3)42-24(16-37-29)22-9-5-7-20(28(22)34)19-6-4-8-21(27(19)33)23-15-36-25(31(41-23)44-2)14-35-13-18-10-11-26(43)40-18/h4-9,15-18,35H,10-14H2,1-3H3,(H,38,39)(H,40,43)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452509 (US10710986, Example 650 | US11555029, No. 650) Show SMILES COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1F)-c1cc(C)c(CN2CC3(C2)CCC(=O)N3)c(OC)n1 Show InChI InChI=1S/C38H39ClFN7O4/c1-22-14-28(42-35(50-2)27(22)16-46-18-37(19-46)12-10-31(48)44-37)26-9-5-7-24(34(26)40)23-6-4-8-25(33(23)39)29-15-41-30(36(43-29)51-3)17-47-20-38(21-47)13-11-32(49)45-38/h4-9,14-15H,10-13,16-21H2,1-3H3,(H,44,48)(H,45,49)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452510 (US10710986, Example 651 | US11555029, No. 651) Show SMILES COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1F)-c1cc(C)c(CN2CC3(C2)CNC(=O)C3)c(OC)n1 Show InChI InChI=1S/C38H39ClFN7O4/c1-22-10-28(44-35(50-2)27(22)14-46-18-37(19-46)11-31(48)42-16-37)26-9-5-7-24(34(26)40)23-6-4-8-25(33(23)39)29-13-41-30(36(45-29)51-3)15-47-20-38(21-47)12-32(49)43-17-38/h4-10,13H,11-12,14-21H2,1-3H3,(H,42,48)(H,43,49)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451974 (US10710986, Example 114 | US11555029, No. 114) Show SMILES COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1 |t:41| Show InChI InChI=1S/C33H31Cl2N7O3/c1-44-31-23(30-36-11-12-37-30)9-10-24(40-31)21-7-3-5-19(28(21)34)20-6-4-8-22(29(20)35)25-14-38-26(32(41-25)45-2)15-42-17-33(18-42)13-27(43)39-16-33/h3-10,14H,11-13,15-18H2,1-2H3,(H,36,37)(H,39,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451976 (US10710986, Example 116 | US11555029, No. 116) Show SMILES COc1nc(cnc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1 |t:36| Show InChI InChI=1S/C30H28Cl2N6O3/c1-40-29-22(28-33-11-12-34-28)9-10-23(36-29)20-7-3-5-18(26(20)31)19-6-4-8-21(27(19)32)24-13-35-25(30(37-24)41-2)16-38-14-17(39)15-38/h3-10,13,17,39H,11-12,14-16H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451981 (US10710986, Example 121 | US11555029, No. 121) Show SMILES COc1nc(cnc1C1=NC[C@H](C)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@H](C)N2)c(OC)n1 |r,t:9,36| Show InChI InChI=1S/C30H28Cl2N8O2/c1-15-11-35-27(37-15)25-29(41-3)39-21(13-33-25)19-9-5-7-17(23(19)31)18-8-6-10-20(24(18)32)22-14-34-26(30(40-22)42-4)28-36-12-16(2)38-28/h5-10,13-16H,11-12H2,1-4H3,(H,35,37)(H,36,38)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452512 (US10710986, Example 653 | US11555029, No. 653) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1 |r| Show InChI InChI=1S/C38H41Cl2N7O4/c1-22-13-30(44-36(50-3)29(22)17-46-18-38(19-46)20-47(21-38)23(2)48)27-9-5-7-25(34(27)39)26-8-6-10-28(35(26)40)31-16-42-32(37(45-31)51-4)15-41-14-24-11-12-33(49)43-24/h5-10,13,16,24,41H,11-12,14-15,17-21H2,1-4H3,(H,43,49)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452514 (US10710986, Example 655 | US11555029, No. 655) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2C[C@@H]3CCC[C@@]3(C2)C(O)=O)c(OC)n1 |r| Show InChI InChI=1S/C39H42Cl2N6O5/c1-22-15-30(45-36(51-2)29(22)20-47-19-23-7-6-14-39(23,21-47)38(49)50)27-10-4-8-25(34(27)40)26-9-5-11-28(35(26)41)31-18-43-32(37(46-31)52-3)17-42-16-24-12-13-33(48)44-24/h4-5,8-11,15,18,23-24,42H,6-7,12-14,16-17,19-21H2,1-3H3,(H,44,48)(H,49,50)/t23-,24-,39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452516 (US10710986, Example 657 | US11555029, No. 657) Show SMILES COc1nc(cnc1CN1CC(C1)OCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)OCC(N)=O)c(OC)n1 Show InChI InChI=1S/C34H36Cl2N8O6/c1-47-33-27(15-43-11-19(12-43)49-17-29(37)45)39-9-25(41-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-10-40-28(34(42-26)48-2)16-44-13-20(14-44)50-18-30(38)46/h3-10,19-20H,11-18H2,1-2H3,(H2,37,45)(H2,38,46)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452520 (US10710986, Example 661 | US11555029, No. 661) Show SMILES COc1nc(cnc1CNCC1CCNC1=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCNC2=O)c(OC)n1 Show InChI InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-39-31(19)45)41-17-25(43-33)23-7-3-5-21(29(23)35)22-6-4-8-24(30(22)36)26-18-42-28(34(44-26)48-2)16-38-14-20-10-12-40-32(20)46/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,39,45)(H,40,46)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451906 (US10710986, Example 45 | US11555029, No. 45) Show SMILES COc1nc(cnc1CNCCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C32H34Cl2N8O4/c1-45-31-25(14-36-12-11-27(35)43)38-16-23(41-31)21-7-3-5-19(29(21)33)20-6-4-8-22(30(20)34)24-17-39-26(32(42-24)46-2)15-37-13-18-9-10-28(44)40-18/h3-8,16-18,36-37H,9-15H2,1-2H3,(H2,35,43)(H,40,44)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451938 (US10710986, Example 78 | US11555029, No. 78) Show SMILES CNc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(NC)n1 Show InChI InChI=1S/C36H38Cl2N10O2/c1-39-33-27(13-47-17-35(18-47)9-29(49)43-15-35)41-11-25(45-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-12-42-28(34(40-2)46-26)14-48-19-36(20-48)10-30(50)44-16-36/h3-8,11-12H,9-10,13-20H2,1-2H3,(H,39,45)(H,40,46)(H,43,49)(H,44,50)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2452 total )  |  Next  |  Last  >>

Jump to: