Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'porter' and Initial = 'dj'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4690 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H41N3O10S/c1-22(2)17-37(48(40,41)26-10-11-30-31(16-26)46-21-45-30)18-29(38)28(36-34(39)47-32-20-44-33-27(32)12-14-42-33)15-23-6-8-25(9-7-23)43-19-24-5-3-4-13-35-24/h3-11,13,16,22,27-29,32-33,38H,12,14-15,17-21H2,1-2H3,(H,36,39)/t27-,28-,29+,32-,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.00000600	-82.5	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4689 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCCc2cccs2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H42N2O10S2/c1-22(2)18-36(48(39,40)26-9-10-30-31(17-26)45-21-44-30)19-29(37)28(35-34(38)46-32-20-43-33-27(32)12-14-42-33)16-23-5-7-24(8-6-23)41-13-11-25-4-3-15-47-25/h3-10,15,17,22,27-29,32-33,37H,11-14,16,18-21H2,1-2H3,(H,35,38)/t27-,28-,29+,32-,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0000130	-80.6	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCc2csc(C)n2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0000150	-80.2	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4688 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCCNC(=O)OCC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C35H49N3O11S/c1-4-44-33(40)36-16-9-8-15-35(2,3)22-38(50(42,43)25-12-13-29-30(19-25)48-23-47-29)20-28(39)27(18-24-10-6-5-7-11-24)37-34(41)49-31-21-46-32-26(31)14-17-45-32/h5-7,10-13,19,26-28,31-32,39H,4,8-9,14-18,20-23H2,1-3H3,(H,36,40)(H,37,41)/t26-,27-,28+,31-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.000165	-74.2	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1)	BDBM4689 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCCc2cccs2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H42N2O10S2/c1-22(2)18-36(48(39,40)26-9-10-30-31(17-26)45-21-44-30)19-29(37)28(35-34(38)46-32-20-43-33-27(32)12-14-42-33)16-23-5-7-24(8-6-23)41-13-11-25-4-3-15-47-25/h3-10,15,17,22,27-29,32-33,37H,11-14,16,18-21H2,1-2H3,(H,35,38)/t27-,28-,29+,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.000220	-73.5	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4687 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCOC(=O)NC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H45N3O11S/c1-33(2,13-7-14-43-31(38)34-3)20-36(48(40,41)23-10-11-27-28(17-23)46-21-45-27)18-26(37)25(16-22-8-5-4-6-9-22)35-32(39)47-29-19-44-30-24(29)12-15-42-30/h4-6,8-11,17,24-26,29-30,37H,7,12-16,18-21H2,1-3H3,(H,34,38)(H,35,39)/t24-,25-,26+,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.000240	-73.2	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1)	BDBM4690 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H41N3O10S/c1-22(2)17-37(48(40,41)26-10-11-30-31(16-26)46-21-45-30)18-29(38)28(36-34(39)47-32-20-44-33-27(32)12-14-42-33)15-23-6-8-25(9-7-23)43-19-24-5-3-4-13-35-24/h3-11,13,16,22,27-29,32-33,38H,12,14-15,17-21H2,1-2H3,(H,36,39)/t27-,28-,29+,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.000420	-71.8	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1)	BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCc2csc(C)n2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.000750	-70.4	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM4688 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCCNC(=O)OCC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C35H49N3O11S/c1-4-44-33(40)36-16-9-8-15-35(2,3)22-38(50(42,43)25-12-13-29-30(19-25)48-23-47-29)20-28(39)27(18-24-10-6-5-7-11-24)37-34(41)49-31-21-46-32-26(31)14-17-45-32/h5-7,10-13,19,26-28,31-32,39H,4,8-9,14-18,20-23H2,1-3H3,(H,36,40)(H,37,41)/t26-,27-,28+,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00120	-69.2	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM4690 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H41N3O10S/c1-22(2)17-37(48(40,41)26-10-11-30-31(16-26)46-21-45-30)18-29(38)28(36-34(39)47-32-20-44-33-27(32)12-14-42-33)15-23-6-8-25(9-7-23)43-19-24-5-3-4-13-35-24/h3-11,13,16,22,27-29,32-33,38H,12,14-15,17-21H2,1-2H3,(H,36,39)/t27-,28-,29+,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.00170	-68.3	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1)	BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCc2csc(C)n2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.00200	-67.9	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM4689 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCCc2cccs2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H42N2O10S2/c1-22(2)18-36(48(39,40)26-9-10-30-31(17-26)45-21-44-30)19-29(37)28(35-34(38)46-32-20-43-33-27(32)12-14-42-33)16-23-5-7-24(8-6-23)41-13-11-25-4-3-15-47-25/h3-10,15,17,22,27-29,32-33,37H,11-14,16,18-21H2,1-2H3,(H,35,38)/t27-,28-,29+,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00240	-67.4	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1)	BDBM4690 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H41N3O10S/c1-22(2)17-37(48(40,41)26-10-11-30-31(16-26)46-21-45-30)18-29(38)28(36-34(39)47-32-20-44-33-27(32)12-14-42-33)15-23-6-8-25(9-7-23)43-19-24-5-3-4-13-35-24/h3-11,13,16,22,27-29,32-33,38H,12,14-15,17-21H2,1-2H3,(H,36,39)/t27-,28-,29+,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.00260	-67.2	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCc2csc(C)n2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.00340	-66.6	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1)	BDBM4689 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCCc2cccs2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H42N2O10S2/c1-22(2)18-36(48(39,40)26-9-10-30-31(17-26)45-21-44-30)19-29(37)28(35-34(38)46-32-20-43-33-27(32)12-14-42-33)16-23-5-7-24(8-6-23)41-13-11-25-4-3-15-47-25/h3-10,15,17,22,27-29,32-33,37H,11-14,16,18-21H2,1-2H3,(H,35,38)/t27-,28-,29+,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00390	-66.2	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1)	BDBM4688 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCCNC(=O)OCC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C35H49N3O11S/c1-4-44-33(40)36-16-9-8-15-35(2,3)22-38(50(42,43)25-12-13-29-30(19-25)48-23-47-29)20-28(39)27(18-24-10-6-5-7-11-24)37-34(41)49-31-21-46-32-26(31)14-17-45-32/h5-7,10-13,19,26-28,31-32,39H,4,8-9,14-18,20-23H2,1-3H3,(H,36,40)(H,37,41)/t26-,27-,28+,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00430	-66.0	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1)	BDBM4688 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCCNC(=O)OCC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C35H49N3O11S/c1-4-44-33(40)36-16-9-8-15-35(2,3)22-38(50(42,43)25-12-13-29-30(19-25)48-23-47-29)20-28(39)27(18-24-10-6-5-7-11-24)37-34(41)49-31-21-46-32-26(31)14-17-45-32/h5-7,10-13,19,26-28,31-32,39H,4,8-9,14-18,20-23H2,1-3H3,(H,36,40)(H,37,41)/t26-,27-,28+,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00460	-65.8	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1)	BDBM4687 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCOC(=O)NC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H45N3O11S/c1-33(2,13-7-14-43-31(38)34-3)20-36(48(40,41)23-10-11-27-28(17-23)46-21-45-27)18-26(37)25(16-22-8-5-4-6-9-22)35-32(39)47-29-19-44-30-24(29)12-15-42-30/h4-6,8-11,17,24-26,29-30,37H,7,12-16,18-21H2,1-3H3,(H,34,38)(H,35,39)/t24-,25-,26+,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0250	-61.5	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1)	BDBM4687 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCOC(=O)NC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H45N3O11S/c1-33(2,13-7-14-43-31(38)34-3)20-36(48(40,41)23-10-11-27-28(17-23)46-21-45-27)18-26(37)25(16-22-8-5-4-6-9-22)35-32(39)47-29-19-44-30-24(29)12-15-42-30/h4-6,8-11,17,24-26,29-30,37H,7,12-16,18-21H2,1-3H3,(H,34,38)(H,35,39)/t24-,25-,26+,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0270	-61.3	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM4687 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCOC(=O)NC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H45N3O11S/c1-33(2,13-7-14-43-31(38)34-3)20-36(48(40,41)23-10-11-27-28(17-23)46-21-45-27)18-26(37)25(16-22-8-5-4-6-9-22)35-32(39)47-29-19-44-30-24(29)12-15-42-30/h4-6,8-11,17,24-26,29-30,37H,7,12-16,18-21H2,1-3H3,(H,34,38)(H,35,39)/t24-,25-,26+,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0544	-59.6	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0570	-59.5	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V] (Human immunodeficiency virus type 1)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	-50.1	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,I539V] (Human immunodeficiency virus type 1)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4.90	-48.2	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M] (Human immunodeficiency virus type 1)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	58	-42.0	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...				Biochemistry 43: 14500-7 (2004) Article DOI: 10.1021/bi0488799 BindingDB Entry DOI: 10.7270/Q25M63WJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50316818 (((2S,3aS,7aS)-1-((1R,2R)-2-phenylcyclopropanecarbo...) Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1 |r| Show InChI InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479034 (CHEMBL515482) Show SMILES CC(=O)c1cc(OCCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H26N2O4/c1-16(26)18-15-21(29-14-11-17-7-3-2-4-8-17)23(28)25-19(18)9-10-20(25)22(27)24-12-5-6-13-24/h2-4,7-8,15,20H,5-6,9-14H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479006 (CHEMBL476508) Show SMILES CC(=O)c1cc(OCCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H25FN2O4/c1-15(27)18-14-21(30-13-10-16-4-6-17(24)7-5-16)23(29)26-19(18)8-9-20(26)22(28)25-11-2-3-12-25/h4-7,14,20H,2-3,8-13H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479013 (CHEMBL476950) Show SMILES Fc1cc(F)cc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C26H24F2N2O5S/c27-18-12-17(13-19(28)14-18)16-35-23-15-24(36(33,34)20-6-2-1-3-7-20)21-8-9-22(30(21)26(23)32)25(31)29-10-4-5-11-29/h1-3,6-7,12-15,22H,4-5,8-11,16H2/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479014 (CHEMBL477998) Show SMILES CC(=O)c1cc(OCc2ccc(F)c(F)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H22F2N2O4/c1-13(27)15-11-20(30-12-14-4-5-16(23)17(24)10-14)22(29)26-18(15)6-7-19(26)21(28)25-8-2-3-9-25/h4-5,10-11,19H,2-3,6-9,12H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479035 (CHEMBL478199) Show SMILES CC(=O)c1cc(OCc2ccc(F)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H22ClFN2O4/c1-13(27)15-11-20(30-12-14-4-5-17(24)16(23)10-14)22(29)26-18(15)6-7-19(26)21(28)25-8-2-3-9-25/h4-5,10-11,19H,2-3,6-9,12H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479012 (CHEMBL476951) Show SMILES FC(F)(F)c1ccc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H25F3N2O5S/c28-27(29,30)19-10-8-18(9-11-19)17-37-23-16-24(38(35,36)20-6-2-1-3-7-20)21-12-13-22(32(21)26(23)34)25(33)31-14-4-5-15-31/h1-3,6-11,16,22H,4-5,12-15,17H2/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50478998 (CHEMBL514702) Show SMILES Clc1cc(NCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H22ClN3O2/c21-15-12-16(22-13-14-6-2-1-3-7-14)19(25)24-17(15)8-9-18(24)20(26)23-10-4-5-11-23/h1-3,6-7,12,18,22H,4-5,8-11,13H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50478997 (CHEMBL476985) Show SMILES Fc1ccc(CNc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r| Show InChI InChI=1S/C20H20ClF2N3O2/c21-13-10-16(24-11-12-3-4-14(22)15(23)9-12)19(27)26-17(13)5-6-18(26)20(28)25-7-1-2-8-25/h3-4,9-10,18,24H,1-2,5-8,11H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479022 (CHEMBL515786) Show SMILES Fc1ccc(CNc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r| Show InChI InChI=1S/C20H21ClFN3O2/c21-15-11-16(23-12-13-3-5-14(22)6-4-13)19(26)25-17(15)7-8-18(25)20(27)24-9-1-2-10-24/h3-6,11,18,23H,1-2,7-10,12H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479009 (CHEMBL478844) Show SMILES Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r| Show InChI InChI=1S/C20H20F2N2O3/c21-15-6-3-13(11-16(15)22)12-27-18-8-5-14-4-7-17(24(14)20(18)26)19(25)23-9-1-2-10-23/h3,5-6,8,11,17H,1-2,4,7,9-10,12H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479015 (CHEMBL516746) Show SMILES CC(=O)c1cc(OCc2cc(F)cc(F)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H22F2N2O4/c1-13(27)17-11-20(30-12-14-8-15(23)10-16(24)9-14)22(29)26-18(17)4-5-19(26)21(28)25-6-2-3-7-25/h8-11,19H,2-7,12H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479020 (CHEMBL478843) Show SMILES Fc1cc(F)cc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r| Show InChI InChI=1S/C20H20F2N2O3/c21-14-9-13(10-15(22)11-14)12-27-18-6-4-16-3-5-17(24(16)20(18)26)19(25)23-7-1-2-8-23/h4,6,9-11,17H,1-3,5,7-8,12H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479010 (CHEMBL518279) Show SMILES Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r| Show InChI InChI=1S/C20H21FN2O3/c21-15-5-3-14(4-6-15)13-26-18-10-8-16-7-9-17(23(16)20(18)25)19(24)22-11-1-2-12-22/h3-6,8,10,17H,1-2,7,9,11-13H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479029 (CHEMBL476949) Show SMILES CC(=O)c1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H22Cl2N2O4/c1-13(27)15-11-20(30-12-14-4-5-16(23)17(24)10-14)22(29)26-18(15)6-7-19(26)21(28)25-8-2-3-9-25/h4-5,10-11,19H,2-3,6-9,12H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479017 (CHEMBL477776) Show SMILES CC(=O)c1cc(OCc2ccc(cc2)C(F)(F)F)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H23F3N2O4/c1-14(29)17-12-20(32-13-15-4-6-16(7-5-15)23(24,25)26)22(31)28-18(17)8-9-19(28)21(30)27-10-2-3-11-27/h4-7,12,19H,2-3,8-11,13H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479023 (CHEMBL478446) Show SMILES Clc1cccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r| Show InChI InChI=1S/C20H20Cl2N2O3/c21-14-5-3-4-13(10-14)12-27-18-11-15(22)16-6-7-17(24(16)20(18)26)19(25)23-8-1-2-9-23/h3-5,10-11,17H,1-2,6-9,12H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479026 (CHEMBL477338) Show SMILES Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c(F)c1 |r| Show InChI InChI=1S/C20H20F2N2O3/c21-14-4-3-13(16(22)11-14)12-27-18-8-6-15-5-7-17(24(15)20(18)26)19(25)23-9-1-2-10-23/h3-4,6,8,11,17H,1-2,5,7,9-10,12H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479008 (CHEMBL515168) Show SMILES FC(F)(F)c1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r| Show InChI InChI=1S/C21H21F3N2O3/c22-21(23,24)15-5-3-14(4-6-15)13-29-18-10-8-16-7-9-17(26(16)20(18)28)19(27)25-11-1-2-12-25/h3-6,8,10,17H,1-2,7,9,11-13H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479005 (CHEMBL478610) Show SMILES Clc1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H19Cl3N2O3/c21-13-4-3-12(9-14(13)22)11-28-18-10-15(23)16-5-6-17(25(16)20(18)27)19(26)24-7-1-2-8-24/h3-4,9-10,17H,1-2,5-8,11H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50478999 (CHEMBL478233) Show SMILES Fc1cc(F)c(F)c(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r| Show InChI InChI=1S/C20H18ClF3N2O3/c21-13-9-17(29-10-11-7-12(22)8-14(23)18(11)24)20(28)26-15(13)3-4-16(26)19(27)25-5-1-2-6-25/h7-9,16H,1-6,10H2/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479025 (CHEMBL478609) Show SMILES Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r| Show InChI InChI=1S/C20H20ClFN2O3/c21-15-11-18(27-12-13-3-5-14(22)6-4-13)20(26)24-16(15)7-8-17(24)19(25)23-9-1-2-10-23/h3-6,11,17H,1-2,7-10,12H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479037 (CHEMBL516744) Show SMILES Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1Cl |r| Show InChI InChI=1S/C20H19Cl2FN2O3/c21-13-9-12(3-4-15(13)23)11-28-18-10-14(22)16-5-6-17(25(16)20(18)27)19(26)24-7-1-2-8-24/h3-4,9-10,17H,1-2,5-8,11H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479030 (CHEMBL476943) Show SMILES CC(=O)c1cc(OCc2ccc(Cl)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H23ClN2O4/c1-14(26)17-12-20(29-13-15-4-6-16(23)7-5-15)22(28)25-18(17)8-9-19(25)21(27)24-10-2-3-11-24/h4-7,12,19H,2-3,8-11,13H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479031 (CHEMBL477775) Show SMILES CC(=O)c1cc(OCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H23FN2O4/c1-14(26)17-12-20(29-13-15-4-6-16(23)7-5-15)22(28)25-18(17)8-9-19(25)21(27)24-10-2-3-11-24/h4-7,12,19H,2-3,8-11,13H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50479004 (CHEMBL514397) Show SMILES Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r| Show InChI InChI=1S/C20H19ClF2N2O3/c21-13-10-18(28-11-12-3-4-14(22)15(23)9-12)20(27)25-16(13)5-6-17(25)19(26)24-7-1-2-8-24/h3-4,9-10,17H,1-2,5-8,11H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant POP expressed in sEscherichia coli				Bioorg Med Chem Lett 18: 4360-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.067 BindingDB Entry DOI: 10.7270/Q20K2CCQ
					More data for this Ligand-Target Pair

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