Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'worley' and Initial = 'tv'   

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)	BDBM50289438 ((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydr...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(CO)c2)C1=O Show InChI InChI=1S/C32H40N2O5/c35-18-9-3-8-17-33-28(20-24-11-4-1-5-12-24)30(37)31(38)29(21-25-13-6-2-7-14-25)34(32(33)39)22-26-15-10-16-27(19-26)23-36/h1-2,4-7,10-16,19,28-31,35-38H,3,8-9,17-18,20-23H2/t28-,29-,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289443 ((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydr...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(O)c2)C1=O Show InChI InChI=1S/C31H38N2O5/c34-18-9-3-8-17-32-27(20-23-11-4-1-5-12-23)29(36)30(37)28(21-24-13-6-2-7-14-24)33(31(32)38)22-25-15-10-16-26(35)19-25/h1-2,4-7,10-16,19,27-30,34-37H,3,8-9,17-18,20-22H2/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289441 ((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(4-hydr...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(CO)cc2)C1=O Show InChI InChI=1S/C32H40N2O5/c35-19-9-3-8-18-33-28(20-24-10-4-1-5-11-24)30(37)31(38)29(21-25-12-6-2-7-13-25)34(32(33)39)22-26-14-16-27(23-36)17-15-26/h1-2,4-7,10-17,28-31,35-38H,3,8-9,18-23H2/t28-,29-,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM21 (CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289445 ((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(5-hydr...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C35H40N2O4/c38-21-11-3-10-20-36-31(23-26-12-4-1-5-13-26)33(39)34(40)32(24-27-14-6-2-7-15-27)37(35(36)41)25-28-18-19-29-16-8-9-17-30(29)22-28/h1-2,4-9,12-19,22,31-34,38-40H,3,10-11,20-21,23-25H2/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM150 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 Show InChI InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM33 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6...) Show SMILES OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O Show InChI InChI=1S/C31H46N2O5/c34-21-13-3-1-11-19-32-27(23-25-15-7-5-8-16-25)29(36)30(37)28(24-26-17-9-6-10-18-26)33(31(32)38)20-12-2-4-14-22-35/h5-10,15-18,27-30,34-37H,1-4,11-14,19-24H2/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289440 ((4R,5S,6S,7R)-1,4,7-Tribenzyl-5,6-dihydroxy-3-(5-h...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C31H38N2O4/c34-20-12-4-11-19-32-27(21-24-13-5-1-6-14-24)29(35)30(36)28(22-25-15-7-2-8-16-25)33(31(32)37)23-26-17-9-3-10-18-26/h1-3,5-10,13-18,27-30,34-36H,4,11-12,19-23H2/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289437 (3-[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-3-(5-h...) Show SMILES CCOC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(CCCCCO)C2=O)c1 Show InChI InChI=1S/C34H42N2O6/c1-2-42-33(40)28-18-12-17-27(21-28)24-36-30(23-26-15-8-4-9-16-26)32(39)31(38)29(22-25-13-6-3-7-14-25)35(34(36)41)19-10-5-11-20-37/h3-4,6-9,12-18,21,29-32,37-39H,2,5,10-11,19-20,22-24H2,1H3/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM25 ((4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O Show InChI InChI=1S/C28H38N2O4/c31-17-9-3-8-16-29-24(18-21-10-4-1-5-11-21)26(32)27(33)25(19-22-12-6-2-7-13-22)30(28(29)34)20-23-14-15-23/h1-2,4-7,10-13,23-27,31-33H,3,8-9,14-20H2/t24-,25-,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM28 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5...) Show SMILES OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O Show InChI InChI=1S/C29H42N2O5/c32-19-11-3-9-17-30-25(21-23-13-5-1-6-14-23)27(34)28(35)26(22-24-15-7-2-8-16-24)31(29(30)36)18-10-4-12-20-33/h1-2,5-8,13-16,25-28,32-35H,3-4,9-12,17-22H2/t25-,26-,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289439 ((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(6-hydr...) Show SMILES OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C36H42N2O4/c39-22-12-2-1-11-21-37-32(24-27-13-5-3-6-14-27)34(40)35(41)33(25-28-15-7-4-8-16-28)38(36(37)42)26-29-19-20-30-17-9-10-18-31(30)23-29/h3-10,13-20,23,32-35,39-41H,1-2,11-12,21-22,24-26H2/t32-,33-,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50289446 (CHEMBL280989 | N-(5-{(4R,5S,6S,7R)-4,7-Dibenzyl-5,...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)Cc2cccnc2)C(=O)N(CCCCCNC(=O)Cc2cccnc2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C43H54N6O5/c50-39(29-35-19-13-21-44-31-35)46-23-9-3-11-25-48-37(27-33-15-5-1-6-16-33)41(52)42(53)38(28-34-17-7-2-8-18-34)49(43(48)54)26-12-4-10-24-47-40(51)30-36-20-14-22-45-32-36/h1-2,5-8,13-22,31-32,37-38,41-42,52-53H,3-4,9-12,23-30H2,(H,46,50)(H,47,51)/t37-,38-,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM67 (DMPC Cyclic Urea 47 | N-{5-[(4R,5S,6S,7R)-4,7-dibe...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2cccc(F)c2)C(=O)N(CCCCCNC(=O)c2cccc(F)c2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C43H50F2N4O5/c44-35-21-13-19-33(29-35)41(52)46-23-9-3-11-25-48-37(27-31-15-5-1-6-16-31)39(50)40(51)38(28-32-17-7-2-8-18-32)49(43(48)54)26-12-4-10-24-47-42(53)34-20-14-22-36(45)30-34/h1-2,5-8,13-22,29-30,37-40,50-51H,3-4,9-12,23-28H2,(H,46,52)(H,47,53)/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM69 (CHEMBL282395 | DMPC Cyclic Urea 49 | N-{5-[(4R,5S,...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccncc2)C(=O)N(CCCCCNC(=O)c2ccncc2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C41H50N6O5/c48-37-35(29-31-13-5-1-6-14-31)46(27-11-3-9-21-44-39(50)33-17-23-42-24-18-33)41(52)47(36(38(37)49)30-32-15-7-2-8-16-32)28-12-4-10-22-45-40(51)34-19-25-43-26-20-34/h1-2,5-8,13-20,23-26,35-38,48-49H,3-4,9-12,21-22,27-30H2,(H,44,50)(H,45,51)/t35-,36-,37+,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM70 (DMPC Cyclic Urea 50 | N-{5-[(4R,5S,6S,7R)-4,7-dibe...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccc(F)cc2)C(=O)N(CCCCCNC(=O)c2ccc(F)cc2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C43H50F2N4O5/c44-35-21-17-33(18-22-35)41(52)46-25-9-3-11-27-48-37(29-31-13-5-1-6-14-31)39(50)40(51)38(30-32-15-7-2-8-16-32)49(43(48)54)28-12-4-10-26-47-42(53)34-19-23-36(45)24-20-34/h1-2,5-8,13-24,37-40,50-51H,3-4,9-12,25-30H2,(H,46,52)(H,47,53)/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM76 (DMPC Cyclic Urea 56 | methyl 6-[(4R,5S,6S,7R)-4,7-...) Show SMILES COC(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(=O)OC)C1=O Show InChI InChI=1S/C33H46N2O7/c1-41-29(36)19-11-5-13-21-34-27(23-25-15-7-3-8-16-25)31(38)32(39)28(24-26-17-9-4-10-18-26)35(33(34)40)22-14-6-12-20-30(37)42-2/h3-4,7-10,15-18,27-28,31-32,38-39H,5-6,11-14,19-24H2,1-2H3/t27-,28-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM81 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(7...) Show SMILES OCCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCCO)C1=O Show InChI InChI=1S/C33H50N2O5/c36-23-15-5-1-3-13-21-34-29(25-27-17-9-7-10-18-27)31(38)32(39)30(26-28-19-11-8-12-20-28)35(33(34)40)22-14-4-2-6-16-24-37/h7-12,17-20,29-32,36-39H,1-6,13-16,21-26H2/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM87 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4...) Show SMILES OCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCO)C1=O Show InChI InChI=1S/C27H38N2O5/c30-17-9-7-15-28-23(19-21-11-3-1-4-12-21)25(32)26(33)24(20-22-13-5-2-6-14-22)29(27(28)34)16-8-10-18-31/h1-6,11-14,23-26,30-33H,7-10,15-20H2/t23-,24-,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM92 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3...) Show SMILES OCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCO)C1=O Show InChI InChI=1S/C25H34N2O5/c28-15-7-13-26-21(17-19-9-3-1-4-10-19)23(30)24(31)22(18-20-11-5-2-6-12-20)27(25(26)32)14-8-16-29/h1-6,9-12,21-24,28-31H,7-8,13-18H2/t21-,22-,23+,24+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM93 (DMPC Cyclic Urea 73 | N-{5-[(4R,5S,6S,7R)-4,7-dibe...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccccc2)C(=O)N(CCCCCNC(=O)c2ccccc2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C43H52N4O5/c48-39-37(31-33-19-7-1-8-20-33)46(29-17-5-15-27-44-41(50)35-23-11-3-12-24-35)43(52)47(38(40(39)49)32-34-21-9-2-10-22-34)30-18-6-16-28-45-42(51)36-25-13-4-14-26-36/h1-4,7-14,19-26,37-40,48-49H,5-6,15-18,27-32H2,(H,44,50)(H,45,51)/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM98 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5...) Show SMILES COCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCOC)C1=O Show InChI InChI=1S/C31H46N2O5/c1-37-21-13-5-11-19-32-27(23-25-15-7-3-8-16-25)29(34)30(35)28(24-26-17-9-4-10-18-26)33(31(32)36)20-12-6-14-22-38-2/h3-4,7-10,15-18,27-30,34-35H,5-6,11-14,19-24H2,1-2H3/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM108 (DMPC Cyclic Urea 88 | N-{5-[(4R,5S,6S,7R)-4,7-dibe...) Show SMILES CS(=O)(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNS(C)(=O)=O)C1=O Show InChI InChI=1S/C31H48N4O7S2/c1-43(39,40)32-19-11-5-13-21-34-27(23-25-15-7-3-8-16-25)29(36)30(37)28(24-26-17-9-4-10-18-26)35(31(34)38)22-14-6-12-20-33-44(2,41)42/h3-4,7-10,15-18,27-30,32-33,36-37H,5-6,11-14,19-24H2,1-2H3/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM114 (1-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{...) Show SMILES CNC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)NC)C1=O Show InChI InChI=1S/C33H50N6O5/c1-34-31(42)36-19-11-5-13-21-38-27(23-25-15-7-3-8-16-25)29(40)30(41)28(24-26-17-9-4-10-18-26)39(33(38)44)22-14-6-12-20-37-32(43)35-2/h3-4,7-10,15-18,27-30,40-41H,5-6,11-14,19-24H2,1-2H3,(H2,34,36,42)(H2,35,37,43)/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM117 (DMPC Cyclic Urea 97 | N-{5-[(4R,5S,6S,7R)-4,7-dibe...) Show SMILES CC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(C)=O)C1=O Show InChI InChI=1S/C33H48N4O5/c1-25(38)34-19-11-5-13-21-36-29(23-27-15-7-3-8-16-27)31(40)32(41)30(24-28-17-9-4-10-18-28)37(33(36)42)22-14-6-12-20-35-26(2)39/h3-4,7-10,15-18,29-32,40-41H,5-6,11-14,19-24H2,1-2H3,(H,34,38)(H,35,39)/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM120 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(8...) Show SMILES OCCCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCCCO)C1=O Show InChI InChI=1S/C35H54N2O5/c38-25-17-7-3-1-5-15-23-36-31(27-29-19-11-9-12-20-29)33(40)34(41)32(28-30-21-13-10-14-22-30)37(35(36)42)24-16-6-2-4-8-18-26-39/h9-14,19-22,31-34,38-41H,1-8,15-18,23-28H2/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM128 ((4R,5S,6S,7R)-1,3-bis(4-aminobutyl)-4,7-dibenzyl-5...) Show SMILES NCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCN)C1=O Show InChI InChI=1S/C27H40N4O3/c28-15-7-9-17-30-23(19-21-11-3-1-4-12-21)25(32)26(33)24(20-22-13-5-2-6-14-22)31(27(30)34)18-10-8-16-29/h1-6,11-14,23-26,32-33H,7-10,15-20,28-29H2/t23-,24-,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM127 ((4R,5S,6S,7R)-1,3-bis(5-aminopentyl)-4,7-dibenzyl-...) Show SMILES NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCN)C1=O Show InChI InChI=1S/C29H44N4O3/c30-17-9-3-11-19-32-25(21-23-13-5-1-6-14-23)27(34)28(35)26(22-24-15-7-2-8-16-24)33(29(32)36)20-12-4-10-18-31/h1-2,5-8,13-16,25-28,34-35H,3-4,9-12,17-22,30-31H2/t25-,26-,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair