Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'garcia-granados' and Initial = 'a'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50246740 ((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(2-carboxy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C38H52O6/c1-33(2)18-20-38(32(42)43)21-19-36(6)25(26(38)22-33)12-13-28-35(5)16-15-29(34(3,4)27(35)14-17-37(28,36)7)44-31(41)24-11-9-8-10-23(24)30(39)40/h8-12,26-29H,13-22H2,1-7H3,(H,39,40)(H,42,43)/t26-,27-,28+,29-,35-,36+,37+,38-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496372 (CHEMBL3126478) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C45H58O6/c1-40(2)23-25-45(39(49)50-28-29-13-9-8-10-14-29)26-24-43(6)32(33(45)27-40)17-18-35-42(5)21-20-36(41(3,4)34(42)19-22-44(35,43)7)51-38(48)31-16-12-11-15-30(31)37(46)47/h8-17,33-36H,18-28H2,1-7H3,(H,46,47)/t33-,34-,35+,36-,42-,43+,44+,45-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50277089 (CHEMBL320364 | Oleanolic Acid 3-O-Glutarate) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C35H54O6/c1-30(2)17-19-35(29(39)40)20-18-33(6)22(23(35)21-30)11-12-25-32(5)15-14-26(41-28(38)10-8-9-27(36)37)31(3,4)24(32)13-16-34(25,33)7/h11,23-26H,8-10,12-21H2,1-7H3,(H,36,37)(H,39,40)/t23-,24-,25+,26-,32-,33+,34+,35-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496355 (CHEMBL318169) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C37H58O6/c1-31(2)16-18-37(30(41)42)19-17-35(8)23(24(37)20-31)10-11-26-34(7)14-13-27(33(5,6)25(34)12-15-36(26,35)9)43-29(40)22-32(3,4)21-28(38)39/h10,24-27H,11-22H2,1-9H3,(H,38,39)(H,41,42)/t24-,25-,26+,27-,34-,35+,36+,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496359 (CHEMBL3126474) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)c4ccccc4C(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C45H58O7/c1-40(2)21-23-45(39(50)51-27-28-13-9-8-10-14-28)24-22-43(6)31(32(45)25-40)17-18-35-42(5)26-33(36(46)41(3,4)34(42)19-20-44(35,43)7)52-38(49)30-16-12-11-15-29(30)37(47)48/h8-17,32-36,46H,18-27H2,1-7H3,(H,47,48)/t32-,33+,34-,35+,36-,42-,43+,44+,45-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496357 (CHEMBL3126455) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCC(O)=O)[C@H](OC(=O)CCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C40H60O10/c1-35(2)18-20-40(34(47)48)21-19-38(6)24(25(40)22-35)14-15-28-37(5)23-26(49-31(45)12-8-10-29(41)42)33(50-32(46)13-9-11-30(43)44)36(3,4)27(37)16-17-39(28,38)7/h14,25-28,33H,8-13,15-23H2,1-7H3,(H,41,42)(H,43,44)(H,47,48)/t25-,26+,27-,28+,33-,37-,38+,39+,40-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496366 (CHEMBL3126468) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCC(O)=O)[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C38H56O10/c1-33(2)16-18-38(32(45)46)19-17-36(6)22(23(38)20-33)8-9-26-35(5)21-24(47-29(43)12-10-27(39)40)31(48-30(44)13-11-28(41)42)34(3,4)25(35)14-15-37(26,36)7/h8,23-26,31H,9-21H2,1-7H3,(H,39,40)(H,41,42)(H,45,46)/t23-,24+,25-,26+,31-,35-,36+,37+,38-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496362 (CHEMBL3126461) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)c4ccccc4C(O)=O)[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C53H62O10/c1-48(2)25-27-53(47(60)61-31-32-15-9-8-10-16-32)28-26-51(6)37(38(53)29-48)21-22-41-50(5)30-39(62-45(58)35-19-13-11-17-33(35)43(54)55)42(49(3,4)40(50)23-24-52(41,51)7)63-46(59)36-20-14-12-18-34(36)44(56)57/h8-21,38-42H,22-31H2,1-7H3,(H,54,55)(H,56,57)/t38-,39+,40-,41+,42-,50-,51+,52+,53-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496367 (CHEMBL3126466) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)c4ccccc4C(O)=O)[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C46H56O10/c1-41(2)20-22-46(40(53)54)23-21-44(6)30(31(46)24-41)16-17-34-43(5)25-32(55-38(51)28-14-10-8-12-26(28)36(47)48)35(42(3,4)33(43)18-19-45(34,44)7)56-39(52)29-15-11-9-13-27(29)37(49)50/h8-16,31-35H,17-25H2,1-7H3,(H,47,48)(H,49,50)(H,53,54)/t31-,32+,33-,34+,35-,43-,44+,45+,46-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496365 (CHEMBL3126454) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCC(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C35H54O7/c1-30(2)15-17-35(29(40)41)18-16-33(6)21(22(35)19-30)11-12-25-32(5)20-23(42-27(38)10-8-9-26(36)37)28(39)31(3,4)24(32)13-14-34(25,33)7/h11,22-25,28,39H,8-10,12-20H2,1-7H3,(H,36,37)(H,40,41)/t22-,23+,24-,25+,28-,32-,33+,34+,35-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50102741 (3-O-Acetyloleanolic Acid | Acetyl Oleanolic Acid) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496371 (CHEMBL3126467) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCC(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C34H52O7/c1-29(2)14-16-34(28(39)40)17-15-32(6)20(21(34)18-29)8-9-24-31(5)19-22(41-26(37)11-10-25(35)36)27(38)30(3,4)23(31)12-13-33(24,32)7/h8,21-24,27,38H,9-19H2,1-7H3,(H,35,36)(H,39,40)/t21-,22+,23-,24+,27-,31-,32+,33+,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496360 (CHEMBL3126453) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCC(O)=O)[C@H](OC(=O)CCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C47H66O10/c1-42(2)23-25-47(41(54)55-29-30-13-9-8-10-14-30)26-24-45(6)31(32(47)27-42)19-20-35-44(5)28-33(56-38(52)17-11-15-36(48)49)40(57-39(53)18-12-16-37(50)51)43(3,4)34(44)21-22-46(35,45)7/h8-10,13-14,19,32-35,40H,11-12,15-18,20-29H2,1-7H3,(H,48,49)(H,50,51)/t32-,33+,34-,35+,40-,44-,45+,46+,47-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496361 (CHEMBL3126463) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCC(O)=O)[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C45H62O10/c1-40(2)21-23-45(39(52)53-27-28-11-9-8-10-12-28)24-22-43(6)29(30(45)25-40)13-14-33-42(5)26-31(54-36(50)17-15-34(46)47)38(55-37(51)18-16-35(48)49)41(3,4)32(42)19-20-44(33,43)7/h8-13,30-33,38H,14-27H2,1-7H3,(H,46,47)(H,48,49)/t30-,31+,32-,33+,38-,42-,43+,44+,45-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496373 (CHEMBL3126465) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)c4ccccc4C(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C38H52O7/c1-33(2)16-18-38(32(43)44)19-17-36(6)24(25(38)20-33)12-13-28-35(5)21-26(29(39)34(3,4)27(35)14-15-37(28,36)7)45-31(42)23-11-9-8-10-22(23)30(40)41/h8-12,25-29,39H,13-21H2,1-7H3,(H,40,41)(H,43,44)/t25-,26+,27-,28+,29-,35-,36+,37+,38-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496356 (CHEMBL3126456) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CC(C)(C)CC(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C37H58O7/c1-31(2)14-16-37(30(42)43)17-15-35(8)22(23(37)18-31)10-11-26-34(7)19-24(44-28(40)21-32(3,4)20-27(38)39)29(41)33(5,6)25(34)12-13-36(26,35)9/h10,23-26,29,41H,11-21H2,1-9H3,(H,38,39)(H,42,43)/t23-,24+,25-,26+,29-,34-,35+,36+,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496369 (CHEMBL3126462) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCC(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C41H58O7/c1-36(2)19-21-41(35(46)47-25-26-11-9-8-10-12-26)22-20-39(6)27(28(41)23-36)13-14-31-38(5)24-29(48-33(44)16-15-32(42)43)34(45)37(3,4)30(38)17-18-40(31,39)7/h8-13,28-31,34,45H,14-25H2,1-7H3,(H,42,43)/t28-,29+,30-,31+,34-,38-,39+,40+,41-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496364 (CHEMBL3126457) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CC(C)(C)CC(O)=O)[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C44H68O10/c1-37(2)16-18-44(36(51)52)19-17-42(10)26(27(44)20-37)12-13-30-41(9)21-28(53-33(49)24-38(3,4)22-31(45)46)35(40(7,8)29(41)14-15-43(30,42)11)54-34(50)25-39(5,6)23-32(47)48/h12,27-30,35H,13-25H2,1-11H3,(H,45,46)(H,47,48)(H,51,52)/t27-,28+,29-,30+,35-,41-,42+,43+,44-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50346701 (CHEMBL1797017) Show SMILES CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)(C)[C@H]1OC(=O)CCC |r,t:18| Show InChI InChI=1S/C38H60O6/c1-10-12-29(39)43-26-23-35(7)27(34(5,6)31(26)44-30(40)13-11-2)16-17-37(9)28(35)15-14-24-25-22-33(3,4)18-20-38(25,32(41)42)21-19-36(24,37)8/h14,25-28,31H,10-13,15-23H2,1-9H3,(H,41,42)/t25-,26+,27-,28+,31-,35-,36+,37+,38-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50346601 (NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50175892 (2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496363 (CHEMBL3126460) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C61H98O6/c1-10-12-14-16-18-20-22-24-29-33-52(62)66-49-44-58(7)50(57(5,6)54(49)67-53(63)34-30-25-23-21-19-17-15-13-11-2)37-38-60(9)51(58)36-35-47-48-43-56(3,4)39-41-61(48,42-40-59(47,60)8)55(64)65-45-46-31-27-26-28-32-46/h26-28,31-32,35,48-51,54H,10-25,29-30,33-34,36-45H2,1-9H3/t48-,49+,50-,51+,54-,58-,59+,60+,61-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496368 (CHEMBL3126473) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCCC)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C36H58O5/c1-9-10-11-12-28(37)41-25-22-33(6)26(32(4,5)29(25)38)15-16-35(8)27(33)14-13-23-24-21-31(2,3)17-19-36(24,30(39)40)20-18-34(23,35)7/h13,24-27,29,38H,9-12,14-22H2,1-8H3,(H,39,40)/t24-,25+,26-,27+,29-,33-,34+,35+,36-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496370 (CHEMBL3126459) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C49H74O6/c1-10-12-15-21-40(50)54-37-32-46(7)38(45(5,6)42(37)55-41(51)22-16-13-11-2)25-26-48(9)39(46)24-23-35-36-31-44(3,4)27-29-49(36,30-28-47(35,48)8)43(52)53-33-34-19-17-14-18-20-34/h14,17-20,23,36-39,42H,10-13,15-16,21-22,24-33H2,1-9H3/t36-,37+,38-,39+,42-,46-,47+,48+,49-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496358 (CHEMBL3126458) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCC)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C41H60O5/c1-9-13-33(42)46-30-25-38(6)31(37(4,5)34(30)43)18-19-40(8)32(38)17-16-28-29-24-36(2,3)20-22-41(29,23-21-39(28,40)7)35(44)45-26-27-14-11-10-12-15-27/h10-12,14-16,29-32,34,43H,9,13,17-26H2,1-8H3/t29-,30+,31-,32+,34-,38-,39+,40+,41-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair