Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'paul' and Initial = 'da'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014145 (CHEMBL314298 | {1-[1-Benzyl-4-(2-benzyloxycarbonyl...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39+,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 protease.				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014144 (CHEMBL83462 | {(S)-1-[(1S,2R,3R,4S)-1-Benzyl-4-((R...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014149 (CHEMBL314758 | {1-[1-Benzyl-4-(2-benzyloxycarbonyl...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 protease.				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014147 (A-74704 | CHEMBL430891 | {(S)-1-[(1S,3S)-1-Benzyl-...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38+,39+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014146 (CHEMBL90174 | {1-[1-Benzyl-3-(2-benzyloxycarbonyla...) Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)CC Show InChI InChI=1S/C45H56N4O7/c1-5-31(3)39(48-44(53)55-29-35-23-15-9-16-24-35)42(51)46-37(27-33-19-11-7-12-20-33)41(50)38(28-34-21-13-8-14-22-34)47-43(52)40(32(4)6-2)49-45(54)56-30-36-25-17-10-18-26-36/h7-26,31-32,37-41,50H,5-6,27-30H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t31-,32-,37-,38-,39-,40+,41?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014150 (2-Acetylamino-N-(1-{3-[2-(2-acetylamino-3-methyl-b...) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)C(C)C Show InChI InChI=1S/C41H62N6O7/c1-23(2)33(42-27(9)48)40(53)46-35(25(5)6)38(51)44-31(21-29-17-13-11-14-18-29)37(50)32(22-30-19-15-12-16-20-30)45-39(52)36(26(7)8)47-41(54)34(24(3)4)43-28(10)49/h11-20,23-26,31-37,50H,21-22H2,1-10H3,(H,42,48)(H,43,49)(H,44,51)(H,45,52)(H,46,53)(H,47,54)/t31-,32-,33-,34+,35-,36+,37?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50421874 (CHEMBL2311105) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C Show InChI InChI=1S/C31H44N4O5/c1-19(2)27(32-21(5)36)30(39)34-25(17-23-13-9-7-10-14-23)29(38)26(18-24-15-11-8-12-16-24)35-31(40)28(20(3)4)33-22(6)37/h7-16,19-20,25-29,38H,17-18H2,1-6H3,(H,32,36)(H,33,37)(H,34,39)(H,35,40)/t25-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50009257 (((1S,2R,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C28H40N2O6/c1-27(2,3)35-25(33)29-21(17-19-13-9-7-10-14-19)23(31)24(32)22(18-20-15-11-8-12-16-20)30-26(34)36-28(4,5)6/h7-16,21-24,31-32H,17-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,22-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014151 (((1S,2R,3R,4S)-1-Benzyl-4-tert-butoxycarbonylamino...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C28H40N2O6/c1-27(2,3)35-25(33)29-21(17-19-13-9-7-10-14-19)23(31)24(32)22(18-20-15-11-8-12-16-20)30-26(34)36-28(4,5)6/h7-16,21-24,31-32H,17-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014152 (CHEMBL88254 | {1-[1-Benzyl-3-(2-benzyloxycarbonyla...) Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C45H56N4O7/c1-31(2)25-39(48-44(53)55-29-35-21-13-7-14-22-35)42(51)46-37(27-33-17-9-5-10-18-33)41(50)38(28-34-19-11-6-12-20-34)47-43(52)40(26-32(3)4)49-45(54)56-30-36-23-15-8-16-24-36/h5-24,31-32,37-41,50H,25-30H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t37-,38-,39-,40+,41?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014153 (((1S,2S,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C28H40N2O6/c1-27(2,3)35-25(33)29-21(17-19-13-9-7-10-14-19)23(31)24(32)22(18-20-15-11-8-12-16-20)30-26(34)36-28(4,5)6/h7-16,21-24,31-32H,17-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,22-,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50009244 (CHEMBL9735 | N-((1S,3S)-3-Acetylamino-1-benzyl-2-h...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(C)=O Show InChI InChI=1S/C21H26N2O3/c1-15(24)22-19(13-17-9-5-3-6-10-17)21(26)20(23-16(2)25)14-18-11-7-4-8-12-18/h3-12,19-21,26H,13-14H2,1-2H3,(H,22,24)(H,23,25)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair