Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'hwang' and Initial = 'ys'   

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)	BDBM50163700 ((S)-2-[(S)-2-(15-{(S)-1-[(R)-1-(1-Carbamoyl-2-hydr...) Show SMILES CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C47H71N7O13/c1-4-30(2)41(45(62)51-36(29-55)43(48)60)53-46(63)42(31(3)56)52-40(59)23-19-14-12-10-8-6-5-7-9-11-13-18-22-39(58)49-34(27-33-24-25-38(57)37(28-33)54(66)67)44(61)50-35(47(64)65)26-32-20-16-15-17-21-32/h15-17,20-21,24-25,28,30-31,34-36,41-42,55-57H,4-14,18-19,22-23,26-27,29H2,1-3H3,(H2,48,60)(H,49,58)(H,50,61)(H,51,62)(H,52,59)(H,53,63)(H,64,65)/t30?,31?,34-,35-,36?,41+,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163699 ((S)-2-[(S)-2-(15-{(S)-1-[(R)-1-(1-Carbamoyl-2-hydr...) Show SMILES CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C47H71N7O12/c1-4-31(2)41(45(61)51-38(30-55)43(48)59)53-46(62)42(32(3)56)52-40(58)23-19-14-12-10-8-6-5-7-9-11-13-18-22-39(57)49-36(28-34-24-26-35(27-25-34)54(65)66)44(60)50-37(47(63)64)29-33-20-16-15-17-21-33/h15-17,20-21,24-27,31-32,36-38,41-42,55-56H,4-14,18-19,22-23,28-30H2,1-3H3,(H2,48,59)(H,49,57)(H,50,60)(H,51,61)(H,52,58)(H,53,62)(H,63,64)/t31?,32?,36-,37-,38?,41+,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163688 ((S)-2-[(S)-2-(15-{(S)-1-[(R)-1-(1-Carbamoyl-2-hydr...) Show SMILES CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C47H70F2N6O10/c1-4-30(2)41(45(62)53-38(29-56)43(50)60)55-46(63)42(31(3)57)54-40(59)23-19-14-12-10-8-6-5-7-9-11-13-18-22-39(58)51-36(28-33-24-25-34(48)35(49)26-33)44(61)52-37(47(64)65)27-32-20-16-15-17-21-32/h15-17,20-21,24-26,30-31,36-38,41-42,56-57H,4-14,18-19,22-23,27-29H2,1-3H3,(H2,50,60)(H,51,58)(H,52,61)(H,53,62)(H,54,59)(H,55,63)(H,64,65)/t30?,31?,36-,37-,38?,41+,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163711 ((S)-2-[(R)-2-(4-Benzyloxy-phenyl)-2-(15-{(S)-1-[(R...) Show SMILES CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccc(OCc2ccccc2)cc1)C(C)O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C53H76N6O11/c1-4-36(2)46(50(65)56-43(34-60)49(54)64)59-51(66)47(37(3)61)57-44(62)27-21-13-11-9-7-5-6-8-10-12-14-22-28-45(63)58-48(52(67)55-42(53(68)69)33-38-23-17-15-18-24-38)40-29-31-41(32-30-40)70-35-39-25-19-16-20-26-39/h15-20,23-26,29-32,36-37,42-43,46-48,60-61H,4-14,21-22,27-28,33-35H2,1-3H3,(H2,54,64)(H,55,67)(H,56,65)(H,57,62)(H,58,63)(H,59,66)(H,68,69)/t36?,37?,42-,43?,46+,47-,48+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370636 (CHEMBL1791327) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C48H74N6O10/c1-5-33(2)42(46(61)52-39(32-55)44(49)59)53-47(62)43(34(3)56)54(4)41(58)29-23-15-13-11-9-7-6-8-10-12-14-22-28-40(57)50-37(30-35-24-18-16-19-25-35)45(60)51-38(48(63)64)31-36-26-20-17-21-27-36/h16-21,24-27,33-34,37-39,42-43,55-56H,5-15,22-23,28-32H2,1-4H3,(H2,49,59)(H,50,57)(H,51,60)(H,52,61)(H,53,62)(H,63,64)/t33-,34-,37+,38-,39?,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370640 (CHEMBL1791339) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)C(C)O)C(=O)N[C@@](C)(C(N)=O)c1cccc2ccccc12 Show InChI InChI=1S/C52H75N7O10/c1-5-34(2)45(49(66)59-52(4,51(54)69)39-29-23-27-37-26-21-22-28-38(37)39)58-48(65)46(35(3)60)57-43(62)31-20-15-13-11-9-7-6-8-10-12-14-19-30-42(61)55-40(47(53)64)33-44(63)56-41(50(67)68)32-36-24-17-16-18-25-36/h16-18,21-29,34-35,40-41,45-46,60H,5-15,19-20,30-33H2,1-4H3,(H2,53,64)(H2,54,69)(H,55,61)(H,56,63)(H,57,62)(H,58,65)(H,59,66)(H,67,68)/t34-,35?,40+,41-,45+,46-,52+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370653 (CHEMBL1791328) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(cc1)C#N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C49H73N7O10/c1-5-33(2)43(47(63)54-40(32-57)45(51)61)55-48(64)44(34(3)58)56(4)42(60)24-20-15-13-11-9-7-6-8-10-12-14-19-23-41(59)52-38(29-36-25-27-37(31-50)28-26-36)46(62)53-39(49(65)66)30-35-21-17-16-18-22-35/h16-18,21-22,25-28,33-34,38-40,43-44,57-58H,5-15,19-20,23-24,29-30,32H2,1-4H3,(H2,51,61)(H,52,59)(H,53,62)(H,54,63)(H,55,64)(H,65,66)/t33-,34-,38+,39-,40?,43+,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370638 (CHEMBL1791330) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C49H76N6O10/c1-5-34(2)43(47(62)53-40(33-56)45(50)60)54-48(63)44(35(3)57)55(4)42(59)29-23-15-13-11-9-7-6-8-10-12-14-22-28-41(58)51-38(31-30-36-24-18-16-19-25-36)46(61)52-39(49(64)65)32-37-26-20-17-21-27-37/h16-21,24-27,34-35,38-40,43-44,56-57H,5-15,22-23,28-33H2,1-4H3,(H2,50,60)(H,51,58)(H,52,61)(H,53,62)(H,54,63)(H,64,65)/t34-,35-,38+,39-,40?,43+,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370648 (CHEMBL1791340) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)[C@H](C)O)C(=O)NC(Cc1ccc(c(O)c1)[N+]([O-])=O)C(N)=O Show InChI InChI=1S/C48H72N8O13/c1-4-30(2)42(46(64)53-34(44(49)62)27-33-24-25-37(56(68)69)38(58)28-33)55-47(65)43(31(3)57)54-40(60)23-19-14-12-10-8-6-5-7-9-11-13-18-22-39(59)51-35(45(50)63)29-41(61)52-36(48(66)67)26-32-20-16-15-17-21-32/h15-17,20-21,24-25,28,30-31,34-36,42-43,57-58H,4-14,18-19,22-23,26-27,29H2,1-3H3,(H2,49,62)(H2,50,63)(H,51,59)(H,52,61)(H,53,64)(H,54,60)(H,55,65)(H,66,67)/t30-,31-,34?,35+,36-,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370650 (CHEMBL1791331) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C44H74N6O10/c1-7-30(4)38(42(57)47-34(28-51)40(45)55)49-43(58)39(31(5)52)50(6)36(54)26-22-17-15-13-11-9-8-10-12-14-16-21-25-35(53)48-37(29(2)3)41(56)46-33(44(59)60)27-32-23-19-18-20-24-32/h18-20,23-24,29-31,33-34,37-39,51-52H,7-17,21-22,25-28H2,1-6H3,(H2,45,55)(H,46,56)(H,47,57)(H,48,53)(H,49,58)(H,59,60)/t30-,31-,33-,34?,37+,38+,39-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	202	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370413 (CHEMBL1791290) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C79H122N14O20/c1-9-47(6)66(75(107)92-68(49(8)96)77(109)87-56(39-46(4)5)71(103)89-59(79(112)113)41-51-43-82-53-31-26-25-30-52(51)53)90-69(101)54(35-36-62(80)97)84-74(106)61-32-27-37-93(61)65(100)34-24-19-17-15-13-11-10-12-14-16-18-23-33-64(99)83-60(44-94)73(105)91-67(48(7)95)76(108)86-55(38-45(2)3)70(102)85-57(42-63(81)98)72(104)88-58(78(110)111)40-50-28-21-20-22-29-50/h20-22,25-26,28-31,43,45-49,54-61,66-68,82,94-96H,9-19,23-24,27,32-42,44H2,1-8H3,(H2,80,97)(H2,81,98)(H,83,99)(H,84,106)(H,85,102)(H,86,108)(H,87,109)(H,88,104)(H,89,103)(H,90,101)(H,91,105)(H,92,107)(H,110,111)(H,112,113)/t47-,48+,49+,54+,55+,56+,57+,58+,59+,60+,61?,66+,67+,68+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease; (Dimerization inhibitor)				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370413 (CHEMBL1791290) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C79H122N14O20/c1-9-47(6)66(75(107)92-68(49(8)96)77(109)87-56(39-46(4)5)71(103)89-59(79(112)113)41-51-43-82-53-31-26-25-30-52(51)53)90-69(101)54(35-36-62(80)97)84-74(106)61-32-27-37-93(61)65(100)34-24-19-17-15-13-11-10-12-14-16-18-23-33-64(99)83-60(44-94)73(105)91-67(48(7)95)76(108)86-55(38-45(2)3)70(102)85-57(42-63(81)98)72(104)88-58(78(110)111)40-50-28-21-20-22-29-50/h20-22,25-26,28-31,43,45-49,54-61,66-68,82,94-96H,9-19,23-24,27,32-42,44H2,1-8H3,(H2,80,97)(H2,81,98)(H,83,99)(H,84,106)(H,85,102)(H,86,108)(H,87,109)(H,88,104)(H,89,103)(H,90,101)(H,91,105)(H,92,107)(H,110,111)(H,112,113)/t47-,48+,49+,54+,55+,56+,57+,58+,59+,60+,61?,66+,67+,68+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding activity towards Human immunodeficiency virus-1 protease				Bioorg Med Chem Lett 14: 4297-300 (2004) Article DOI: 10.1016/j.bmcl.2004.05.081 BindingDB Entry DOI: 10.7270/Q2XG9RW0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163694 ((S)-3-(4-Benzoyl-phenyl)-2-((S)-3-carbamoyl-2-{15-...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C51H70N6O9/c1-3-35(2)46(50(64)55-40(48(53)62)32-36-22-16-14-17-23-36)57-45(60)27-21-13-11-9-7-5-4-6-8-10-12-20-26-44(59)54-41(34-43(52)58)49(63)56-42(51(65)66)33-37-28-30-39(31-29-37)47(61)38-24-18-15-19-25-38/h14-19,22-25,28-31,35,40-42,46H,3-13,20-21,26-27,32-34H2,1-2H3,(H2,52,58)(H2,53,62)(H,54,59)(H,55,64)(H,56,63)(H,57,60)(H,65,66)/t35?,40-,41+,42+,46+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163710 (((S)-3-Carbamoyl-2-{15-[(S)-1-((R)-1-carbamoyl-2-p...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)NC(C1CCCCC1)C(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C43H70N6O8/c1-3-30(2)38(42(55)47-33(40(45)53)28-31-22-16-14-17-23-31)48-37(52)27-21-13-11-9-7-5-4-6-8-10-12-20-26-36(51)46-34(29-35(44)50)41(54)49-39(43(56)57)32-24-18-15-19-25-32/h14,16-17,22-23,30,32-34,38-39H,3-13,15,18-21,24-29H2,1-2H3,(H2,44,50)(H2,45,53)(H,46,51)(H,47,55)(H,48,52)(H,49,54)(H,56,57)/t30?,33-,34+,38+,39?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163717 (2-((S)-3-Carbamoyl-2-{15-[(S)-1-((R)-1-carbamoyl-2...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)NC(Cc1ccc2ccccc2c1)C(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H68N6O8/c1-3-33(2)44(47(60)52-38(45(50)58)30-34-21-15-14-16-22-34)54-43(57)26-18-13-11-9-7-5-4-6-8-10-12-17-25-42(56)51-39(32-41(49)55)46(59)53-40(48(61)62)31-35-27-28-36-23-19-20-24-37(36)29-35/h14-16,19-24,27-29,33,38-40,44H,3-13,17-18,25-26,30-32H2,1-2H3,(H2,49,55)(H2,50,58)(H,51,56)(H,52,60)(H,53,59)(H,54,57)(H,61,62)/t33?,38-,39+,40?,44+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163696 ((S)-2-((S)-3-Carbamoyl-2-{15-[(S)-1-((R)-1-carbamo...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H68N6O8/c1-3-32(2)41(44(57)50-36(42(47)55)30-34-24-18-15-19-25-34)51-40(54)27-21-13-11-9-7-5-4-6-8-10-12-20-26-39(53)48-37(31-38(46)52)43(56)49-35(45(58)59)29-28-33-22-16-14-17-23-33/h14-19,22-25,32,35-37,41H,3-13,20-21,26-31H2,1-2H3,(H2,46,52)(H2,47,55)(H,48,53)(H,49,56)(H,50,57)(H,51,54)(H,58,59)/t32?,35-,36+,37-,41-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370643 (CHEMBL1791333) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C45H76N6O10/c1-7-31(4)39(43(58)49-36(29-52)41(46)56)50-44(59)40(32(5)53)51(6)38(55)26-22-17-15-13-11-9-8-10-12-14-16-21-25-37(54)47-34(27-30(2)3)42(57)48-35(45(60)61)28-33-23-19-18-20-24-33/h18-20,23-24,30-32,34-36,39-40,52-53H,7-17,21-22,25-29H2,1-6H3,(H2,46,56)(H,47,54)(H,48,57)(H,49,58)(H,50,59)(H,60,61)/t31-,32-,34?,35-,36?,39+,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163707 (2-((S)-3-Carbamoyl-2-{15-[(S)-1-((R)-1-carbamoyl-2...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)NC(CC1CCCCC1)C(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H72N6O8/c1-3-31(2)40(43(56)48-34(41(46)54)28-32-22-16-14-17-23-32)50-39(53)27-21-13-11-9-7-5-4-6-8-10-12-20-26-38(52)47-35(30-37(45)51)42(55)49-36(44(57)58)29-33-24-18-15-19-25-33/h14,16-17,22-23,31,33-36,40H,3-13,15,18-21,24-30H2,1-2H3,(H2,45,51)(H2,46,54)(H,47,52)(H,48,56)(H,49,55)(H,50,53)(H,57,58)/t31?,34-,35+,36?,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	285	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370654 (CHEMBL1791341) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C55H77N7O11/c1-4-36(2)48(53(70)60-42(51(56)68)33-39-29-31-41(32-30-39)50(67)40-25-19-16-20-26-40)62-54(71)49(37(3)63)61-46(65)28-22-14-12-10-8-6-5-7-9-11-13-21-27-45(64)58-43(52(57)69)35-47(66)59-44(55(72)73)34-38-23-17-15-18-24-38/h15-20,23-26,29-32,36-37,42-44,48-49,63H,4-14,21-22,27-28,33-35H2,1-3H3,(H2,56,68)(H2,57,69)(H,58,64)(H,59,66)(H,60,70)(H,61,65)(H,62,71)(H,72,73)/t36-,37-,42-,43+,44-,48+,49-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	314	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370645 (CHEMBL1791342) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H82N8O11/c1-4-38(2)50(55(73)63-45(35-41-28-20-16-21-29-41)54(72)62-43(52(58)70)34-40-26-18-15-19-27-40)65-56(74)51(39(3)66)64-48(68)33-25-14-12-10-8-6-5-7-9-11-13-24-32-47(67)60-44(53(59)71)37-49(69)61-46(57(75)76)36-42-30-22-17-23-31-42/h15-23,26-31,38-39,43-46,50-51,66H,4-14,24-25,32-37H2,1-3H3,(H2,58,70)(H2,59,71)(H,60,67)(H,61,69)(H,62,72)(H,63,73)(H,64,68)(H,65,74)(H,75,76)/t38-,39-,43-,44+,45-,46-,50+,51-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	361	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163692 ((S)-2-((S)-3-Carbamoyl-2-{15-[(S)-1-((R)-1-carbamo...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H65N7O10/c1-3-30(2)40(43(57)48-34(41(46)55)27-31-19-15-14-16-20-31)50-39(54)22-18-13-11-9-7-5-4-6-8-10-12-17-21-38(53)47-35(29-37(45)52)42(56)49-36(44(58)59)28-32-23-25-33(26-24-32)51(60)61/h14-16,19-20,23-26,30,34-36,40H,3-13,17-18,21-22,27-29H2,1-2H3,(H2,45,52)(H2,46,55)(H,47,53)(H,48,57)(H,49,56)(H,50,54)(H,58,59)/t30?,34-,35+,36+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	384	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370641 (CHEMBL1791318) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O Show InChI InChI=1S/C55H79N7O11/c1-4-37(2)49(53(69)60-43(51(56)67)33-40-29-31-42(32-30-40)73-36-41-25-19-16-20-26-41)62-54(70)50(38(3)63)61-47(65)28-22-14-12-10-8-6-5-7-9-11-13-21-27-46(64)58-44(52(57)68)35-48(66)59-45(55(71)72)34-39-23-17-15-18-24-39/h15-20,23-26,29-32,37-38,43-45,49-50,63H,4-14,21-22,27-28,33-36H2,1-3H3,(H2,56,67)(H2,57,68)(H,58,64)(H,59,66)(H,60,69)(H,61,65)(H,62,70)(H,71,72)/t37-,38-,43-,44+,45-,49+,50-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	414	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370412 (CHEMBL449777) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C48H73N7O10/c1-32(2)28-37(45(61)52-36(44(50)60)29-34-22-16-14-17-23-34)53-47(63)43(33(3)56)55-42(59)27-21-13-11-9-7-5-4-6-8-10-12-20-26-41(58)51-38(31-40(49)57)46(62)54-39(48(64)65)30-35-24-18-15-19-25-35/h14-19,22-25,32-33,36-39,43,56H,4-13,20-21,26-31H2,1-3H3,(H2,49,57)(H2,50,60)(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)(H,64,65)/t33-,36-,37-,38-,39-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding activity towards Human immunodeficiency virus-1 protease				Bioorg Med Chem Lett 14: 4297-300 (2004) Article DOI: 10.1016/j.bmcl.2004.05.081 BindingDB Entry DOI: 10.7270/Q2XG9RW0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163697 ((S)-2-[(R)-3-Carbamoyl-3-(15-{(S)-1-[(S)-1-((S)-1-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H73N7O10/c1-32(2)28-38(46(62)53-36(44(49)60)29-34-22-16-14-17-23-34)54-47(63)43(33(3)56)55-41(58)27-21-13-11-9-7-5-4-6-8-10-12-20-26-40(57)51-37(45(50)61)31-42(59)52-39(48(64)65)30-35-24-18-15-19-25-35/h14-19,22-25,32-33,36-39,43,56H,4-13,20-21,26-31H2,1-3H3,(H2,49,60)(H2,50,61)(H,51,57)(H,52,59)(H,53,62)(H,54,63)(H,55,58)(H,64,65)/t33?,36-,37+,38-,39-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50150552 ((E)-3-{(S)-1-[((S)-Carbamoyl-{11-[(S)-1-((S)-1-car...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C(O)=O)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C43H61N7O9/c1-3-29(2)37(43(59)48-32(39(44)55)27-30-19-13-11-14-20-30)49-34(51)23-17-9-7-5-4-6-8-10-18-26-46-42(58)38(40(45)56)50-41(57)33(28-31-21-15-12-16-22-31)47-35(52)24-25-36(53)54/h11-16,19-22,24-25,29,32-33,37-38H,3-10,17-18,23,26-28H2,1-2H3,(H2,44,55)(H2,45,56)(H,46,58)(H,47,52)(H,48,59)(H,49,51)(H,50,57)(H,53,54)/b25-24+/t29?,32-,33-,37-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding activity towards Human immunodeficiency virus-1 protease				Bioorg Med Chem Lett 14: 4297-300 (2004) Article DOI: 10.1016/j.bmcl.2004.05.081 BindingDB Entry DOI: 10.7270/Q2XG9RW0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370639 (CHEMBL1791329) Show SMILES CC[C@H](C)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N(C)[C@@H]([C@H](C)O)C(=O)N[C@H]([C@@H](C)CC)C(=O)NC(CO)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C45H76N6O10/c1-7-30(3)38(42(57)47-34(45(60)61)28-33-24-20-19-21-25-33)49-36(54)26-22-17-15-13-11-9-10-12-14-16-18-23-27-37(55)51(6)40(32(5)53)44(59)50-39(31(4)8-2)43(58)48-35(29-52)41(46)56/h19-21,24-25,30-32,34-35,38-40,52-53H,7-18,22-23,26-29H2,1-6H3,(H2,46,56)(H,47,57)(H,48,58)(H,49,54)(H,50,59)(H,60,61)/t30-,31-,32-,34-,35?,38+,39+,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50150540 ((E)-3-{(S)-1-[(S)-1-{11-[(S)-1-((S)-1-Carbamoyl-2-...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)\C=C\C(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H71N7O11/c1-3-33(2)45(49(65)53-37(46(50)62)29-34-19-13-11-14-20-34)55-42(58)23-17-9-7-5-4-6-8-10-18-28-51-47(63)38(31-36-24-25-41(57)40(32-36)56(66)67)54-48(64)39(30-35-21-15-12-16-22-35)52-43(59)26-27-44(60)61/h11,13-14,19-20,24-27,32-33,35,37-39,45,57H,3-10,12,15-18,21-23,28-31H2,1-2H3,(H2,50,62)(H,51,63)(H,52,59)(H,53,65)(H,54,64)(H,55,58)(H,60,61)/b27-26+/t33?,37-,38-,39-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.99E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding activity towards Human immunodeficiency virus-1 protease				Bioorg Med Chem Lett 14: 4297-300 (2004) Article DOI: 10.1016/j.bmcl.2004.05.081 BindingDB Entry DOI: 10.7270/Q2XG9RW0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50150542 ((E)-3-{(S)-1-[(S)-1-{11-[(S)-1-((S)-1-Carbamoyl-2-...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)\C=C\C(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O Show InChI InChI=1S/C53H73N7O11/c1-3-35(2)49(53(69)57-41(50(54)66)34-39-23-18-22-38-21-15-16-24-40(38)39)59-46(62)25-14-9-7-5-4-6-8-10-17-30-55-51(67)42(32-37-26-27-45(61)44(33-37)60(70)71)58-52(68)43(31-36-19-12-11-13-20-36)56-47(63)28-29-48(64)65/h15-16,18,21-24,26-29,33,35-36,41-43,49,61H,3-14,17,19-20,25,30-32,34H2,1-2H3,(H2,54,66)(H,55,67)(H,56,63)(H,57,69)(H,58,68)(H,59,62)(H,64,65)/b29-28+/t35?,41-,42-,43-,49-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding activity towards Human immunodeficiency virus-1 protease				Bioorg Med Chem Lett 14: 4297-300 (2004) Article DOI: 10.1016/j.bmcl.2004.05.081 BindingDB Entry DOI: 10.7270/Q2XG9RW0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163691 ((S)-2-[(R)-3-Carbamoyl-3-(15-{(S)-1-[(R)-1-((S)-1-...) Show SMILES CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H73N7O10/c1-4-32(2)42(46(62)53-36(44(49)60)29-34-23-17-15-18-24-34)55-47(63)43(33(3)56)54-40(58)28-22-14-12-10-8-6-5-7-9-11-13-21-27-39(57)51-37(45(50)61)31-41(59)52-38(48(64)65)30-35-25-19-16-20-26-35/h15-20,23-26,32-33,36-38,42-43,56H,4-14,21-22,27-31H2,1-3H3,(H2,49,60)(H2,50,61)(H,51,57)(H,52,59)(H,53,62)(H,54,58)(H,55,63)(H,64,65)/t32?,33?,36-,37+,38-,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50150541 ((E)-3-{(S)-1-[(S)-1-(11-{(S)-1-[(S)-1-Carbamoyl-2-...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)\C=C\C(O)=O)C(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(N)=O Show InChI InChI=1S/C49H70N8O14/c1-3-31(2)45(49(67)53-35(46(50)64)27-33-19-21-40(58)38(29-33)56(68)69)55-42(60)18-14-9-7-5-4-6-8-10-15-25-51-47(65)36(28-34-20-22-41(59)39(30-34)57(70)71)54-48(66)37(26-32-16-12-11-13-17-32)52-43(61)23-24-44(62)63/h19-24,29-32,35-37,45,58-59H,3-18,25-28H2,1-2H3,(H2,50,64)(H,51,65)(H,52,61)(H,53,67)(H,54,66)(H,55,60)(H,62,63)/b24-23+/t31?,35-,36-,37-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding activity towards Human immunodeficiency virus-1 protease				Bioorg Med Chem Lett 14: 4297-300 (2004) Article DOI: 10.1016/j.bmcl.2004.05.081 BindingDB Entry DOI: 10.7270/Q2XG9RW0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370646 (CHEMBL1791332) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C46H70N6O10/c1-5-31(2)40(44(59)50-37(30-53)42(47)57)51-45(60)41(32(3)54)52(4)39(56)28-20-15-13-11-9-7-6-8-10-12-14-19-27-38(55)48-35-26-22-21-25-34(35)43(58)49-36(46(61)62)29-33-23-17-16-18-24-33/h16-18,21-26,31-32,36-37,40-41,53-54H,5-15,19-20,27-30H2,1-4H3,(H2,47,57)(H,48,55)(H,49,58)(H,50,59)(H,51,60)(H,61,62)/t31-,32-,36-,37?,40+,41-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163701 ((S)-2-[(R)-3-Carbamoyl-3-(15-{1-[(R)-1-((S)-1-carb...) Show SMILES CCC(C)[C@@H](NC(=O)C(CCC(C)C)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C51H79N7O9/c1-5-36(4)46(50(65)57-40(47(52)62)32-37-24-18-16-19-25-37)58-49(64)39(31-30-35(2)3)54-43(59)28-22-14-12-10-8-6-7-9-11-13-15-23-29-44(60)55-41(48(53)63)34-45(61)56-42(51(66)67)33-38-26-20-17-21-27-38/h16-21,24-27,35-36,39-42,46H,5-15,22-23,28-34H2,1-4H3,(H2,52,62)(H2,53,63)(H,54,59)(H,55,60)(H,56,61)(H,57,65)(H,58,64)(H,66,67)/t36?,39?,40-,41+,42-,46+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus -1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163691 ((S)-2-[(R)-3-Carbamoyl-3-(15-{(S)-1-[(R)-1-((S)-1-...) Show SMILES CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H73N7O10/c1-4-32(2)42(46(62)53-36(44(49)60)29-34-23-17-15-18-24-34)55-47(63)43(33(3)56)54-40(58)28-22-14-12-10-8-6-5-7-9-11-13-21-27-39(57)51-37(45(50)61)31-41(59)52-38(48(64)65)30-35-25-19-16-20-26-35/h15-20,23-26,32-33,36-38,42-43,56H,4-14,21-22,27-31H2,1-3H3,(H2,49,60)(H2,50,61)(H,51,57)(H,52,59)(H,53,62)(H,54,58)(H,55,63)(H,64,65)/t32?,33?,36-,37+,38-,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163719 ((S)-2-{3-(4-Amino-phenyl)-2-[15-({(S)-1-[(R)-1-(1-...) Show SMILES CCC(C)[C@@H](NC(=O)[C@H](C(C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)NC(Cc1ccc(N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C48H75N7O10/c1-5-32(2)42(46(62)53-39(31-56)44(50)60)54-47(63)43(33(3)57)55(4)41(59)24-20-15-13-11-9-7-6-8-10-12-14-19-23-40(58)51-37(29-35-25-27-36(49)28-26-35)45(61)52-38(48(64)65)30-34-21-17-16-18-22-34/h16-18,21-22,25-28,32-33,37-39,42-43,56-57H,5-15,19-20,23-24,29-31,49H2,1-4H3,(H2,50,60)(H,51,58)(H,52,61)(H,53,62)(H,54,63)(H,64,65)/t32?,33?,37?,38-,39?,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163697 ((S)-2-[(R)-3-Carbamoyl-3-(15-{(S)-1-[(S)-1-((S)-1-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H73N7O10/c1-32(2)28-38(46(62)53-36(44(49)60)29-34-22-16-14-17-23-34)54-47(63)43(33(3)56)55-41(58)27-21-13-11-9-7-5-4-6-8-10-12-20-26-40(57)51-37(45(50)61)31-42(59)52-39(48(64)65)30-35-24-18-15-19-25-35/h14-19,22-25,32-33,36-39,43,56H,4-13,20-21,26-31H2,1-3H3,(H2,49,60)(H2,50,61)(H,51,57)(H,52,59)(H,53,62)(H,54,63)(H,55,58)(H,64,65)/t33?,36-,37+,38-,39-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370413 (CHEMBL1791290) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C79H122N14O20/c1-9-47(6)66(75(107)92-68(49(8)96)77(109)87-56(39-46(4)5)71(103)89-59(79(112)113)41-51-43-82-53-31-26-25-30-52(51)53)90-69(101)54(35-36-62(80)97)84-74(106)61-32-27-37-93(61)65(100)34-24-19-17-15-13-11-10-12-14-16-18-23-33-64(99)83-60(44-94)73(105)91-67(48(7)95)76(108)86-55(38-45(2)3)70(102)85-57(42-63(81)98)72(104)88-58(78(110)111)40-50-28-21-20-22-29-50/h20-22,25-26,28-31,43,45-49,54-61,66-68,82,94-96H,9-19,23-24,27,32-42,44H2,1-8H3,(H2,80,97)(H2,81,98)(H,83,99)(H,84,106)(H,85,102)(H,86,108)(H,87,109)(H,88,104)(H,89,103)(H,90,101)(H,91,105)(H,92,107)(H,110,111)(H,112,113)/t47-,48+,49+,54+,55+,56+,57+,58+,59+,60+,61?,66+,67+,68+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory activity against Human immunodeficiency virus-1 protease				Bioorg Med Chem Lett 14: 4297-300 (2004) Article DOI: 10.1016/j.bmcl.2004.05.081 BindingDB Entry DOI: 10.7270/Q2XG9RW0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370413 (CHEMBL1791290) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C79H122N14O20/c1-9-47(6)66(75(107)92-68(49(8)96)77(109)87-56(39-46(4)5)71(103)89-59(79(112)113)41-51-43-82-53-31-26-25-30-52(51)53)90-69(101)54(35-36-62(80)97)84-74(106)61-32-27-37-93(61)65(100)34-24-19-17-15-13-11-10-12-14-16-18-23-33-64(99)83-60(44-94)73(105)91-67(48(7)95)76(108)86-55(38-45(2)3)70(102)85-57(42-63(81)98)72(104)88-58(78(110)111)40-50-28-21-20-22-29-50/h20-22,25-26,28-31,43,45-49,54-61,66-68,82,94-96H,9-19,23-24,27,32-42,44H2,1-8H3,(H2,80,97)(H2,81,98)(H,83,99)(H,84,106)(H,85,102)(H,86,108)(H,87,109)(H,88,104)(H,89,103)(H,90,101)(H,91,105)(H,92,107)(H,110,111)(H,112,113)/t47-,48+,49+,54+,55+,56+,57+,58+,59+,60+,61?,66+,67+,68+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease; (Dimerization inhibitor)				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370633 (CHEMBL1791334) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C48H74N6O11/c1-5-32(2)42(46(62)52-39(31-55)44(49)60)53-47(63)43(33(3)56)54(4)41(59)24-20-15-13-11-9-7-6-8-10-12-14-19-23-40(58)50-37(29-35-25-27-36(57)28-26-35)45(61)51-38(48(64)65)30-34-21-17-16-18-22-34/h16-18,21-22,25-28,32-33,37-39,42-43,55-57H,5-15,19-20,23-24,29-31H2,1-4H3,(H2,49,60)(H,50,58)(H,51,61)(H,52,62)(H,53,63)(H,64,65)/t32-,33-,37?,38-,39?,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	774	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163726 ((S)-2-[(R)-3-Carbamoyl-3-(15-{1-[(R)-1-((S)-1-carb...) Show SMILES CCC(C)[C@@H](NC(=O)C(CCc1ccccc1)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H77N7O9/c1-3-38(2)49(53(68)60-43(50(55)65)35-40-27-19-15-20-28-40)61-52(67)42(34-33-39-25-17-14-18-26-39)57-46(62)31-23-12-10-8-6-4-5-7-9-11-13-24-32-47(63)58-44(51(56)66)37-48(64)59-45(54(69)70)36-41-29-21-16-22-30-41/h14-22,25-30,38,42-45,49H,3-13,23-24,31-37H2,1-2H3,(H2,55,65)(H2,56,66)(H,57,62)(H,58,63)(H,59,64)(H,60,68)(H,61,67)(H,69,70)/t38?,42?,43-,44+,45-,49+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163727 ((S)-2-((R)-3-Carbamoyl-3-{15-[1-[(R)-1-((S)-1-carb...) Show SMILES CCC(C)[C@@H](NC(=O)C(Cc1ccc(F)c(F)c1)NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H73F2N7O9/c1-3-35(2)48(52(69)61-41(49(56)66)31-36-22-16-14-17-23-36)62-51(68)43(33-38-28-29-39(54)40(55)30-38)59-46(64)27-21-13-11-9-7-5-4-6-8-10-12-20-26-45(63)58-42(50(57)67)34-47(65)60-44(53(70)71)32-37-24-18-15-19-25-37/h14-19,22-25,28-30,35,41-44,48H,3-13,20-21,26-27,31-34H2,1-2H3,(H2,56,66)(H2,57,67)(H,58,63)(H,59,64)(H,60,65)(H,61,69)(H,62,68)(H,70,71)/t35?,41-,42+,43?,44-,48+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370637 (CHEMBL1791322) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)[C@H](C)O)C(=O)NC(CCc1ccccc1)C(N)=O Show InChI InChI=1S/C49H75N7O10/c1-4-33(2)43(47(63)54-37(45(50)61)30-29-35-23-17-15-18-24-35)56-48(64)44(34(3)57)55-41(59)28-22-14-12-10-8-6-5-7-9-11-13-21-27-40(58)52-38(46(51)62)32-42(60)53-39(49(65)66)31-36-25-19-16-20-26-36/h15-20,23-26,33-34,37-39,43-44,57H,4-14,21-22,27-32H2,1-3H3,(H2,50,61)(H2,51,62)(H,52,58)(H,53,60)(H,54,63)(H,55,59)(H,56,64)(H,65,66)/t33-,34-,37?,38+,39-,43+,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370647 (CHEMBL1791323) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)[C@H](C)O)C(=O)N[C@H](Cc1ccc(cc1)C#N)C(N)=O Show InChI InChI=1S/C49H72N8O10/c1-4-32(2)43(47(64)55-37(45(51)62)28-35-24-26-36(31-50)27-25-35)57-48(65)44(33(3)58)56-41(60)23-19-14-12-10-8-6-5-7-9-11-13-18-22-40(59)53-38(46(52)63)30-42(61)54-39(49(66)67)29-34-20-16-15-17-21-34/h15-17,20-21,24-27,32-33,37-39,43-44,58H,4-14,18-19,22-23,28-30H2,1-3H3,(H2,51,62)(H2,52,63)(H,53,59)(H,54,61)(H,55,64)(H,56,60)(H,57,65)(H,66,67)/t32-,33-,37+,38+,39-,43+,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163716 ((S)-2-[(R)-3-Carbamoyl-3-(15-{1-[(R)-1-((S)-1-carb...) Show SMILES CCCCC(NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)C(=O)N[C@H](C(C)CC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H77N7O9/c1-4-6-29-38(48(63)57-45(35(3)5-2)49(64)56-39(46(51)61)32-36-25-19-17-20-26-36)53-42(58)30-23-15-13-11-9-7-8-10-12-14-16-24-31-43(59)54-40(47(52)62)34-44(60)55-41(50(65)66)33-37-27-21-18-22-28-37/h17-22,25-28,35,38-41,45H,4-16,23-24,29-34H2,1-3H3,(H2,51,61)(H2,52,62)(H,53,58)(H,54,59)(H,55,60)(H,56,64)(H,57,63)(H,65,66)/t35?,38?,39-,40+,41-,45+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370635 (CHEMBL1791324) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)[C@H](C)O)C(=O)N[C@H](Cc1ccc(Br)cc1)C(N)=O Show InChI InChI=1S/C48H72BrN7O10/c1-4-31(2)42(46(63)54-36(44(50)61)28-34-24-26-35(49)27-25-34)56-47(64)43(32(3)57)55-40(59)23-19-14-12-10-8-6-5-7-9-11-13-18-22-39(58)52-37(45(51)62)30-41(60)53-38(48(65)66)29-33-20-16-15-17-21-33/h15-17,20-21,24-27,31-32,36-38,42-43,57H,4-14,18-19,22-23,28-30H2,1-3H3,(H2,50,61)(H2,51,62)(H,52,58)(H,53,60)(H,54,63)(H,55,59)(H,56,64)(H,65,66)/t31-,32-,36+,37+,38-,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163690 ((S)-2-{(R)-3-Carbamoyl-3-[15-({[(R)-1-((S)-1-carba...) Show SMILES CCC(C)[C@@H](NC(=O)C(NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C52H73N7O9/c1-3-36(2)46(50(65)57-40(48(53)63)33-37-25-17-14-18-26-37)59-51(66)47(39-29-21-16-22-30-39)58-44(61)32-24-13-11-9-7-5-4-6-8-10-12-23-31-43(60)55-41(49(54)64)35-45(62)56-42(52(67)68)34-38-27-19-15-20-28-38/h14-22,25-30,36,40-42,46-47H,3-13,23-24,31-35H2,1-2H3,(H2,53,63)(H2,54,64)(H,55,60)(H,56,62)(H,57,65)(H,58,61)(H,59,66)(H,67,68)/t36?,40-,41+,42-,46+,47?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50163713 ((S)-2-[2-[15-({(S)-1-[(R)-1-(1-Carbamoyl-2-hydroxy...) Show SMILES CCC(C)[C@@H](NC(=O)[C@H](C(C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)NC(Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O Show InChI InChI=1S/C48H75N6O14P/c1-5-32(2)42(46(61)52-39(31-55)44(49)59)53-47(62)43(33(3)56)54(4)41(58)24-20-15-13-11-9-7-6-8-10-12-14-19-23-40(57)50-37(29-35-25-27-36(28-26-35)68-69(65,66)67)45(60)51-38(48(63)64)30-34-21-17-16-18-22-34/h16-18,21-22,25-28,32-33,37-39,42-43,55-56H,5-15,19-20,23-24,29-31H2,1-4H3,(H2,49,59)(H,50,57)(H,51,60)(H,52,61)(H,53,62)(H,63,64)(H2,65,66,67)/t32?,33?,37?,38-,39?,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370649 (CHEMBL1791325) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)[C@H](C)O)C(=O)N1Cc2[nH]c3ccccc3c2CC1C(N)=O Show InChI InChI=1S/C51H74N8O10/c1-4-32(2)45(50(67)59-31-40-36(29-41(59)48(53)65)35-24-20-21-25-37(35)54-40)58-49(66)46(33(3)60)57-43(62)27-19-14-12-10-8-6-5-7-9-11-13-18-26-42(61)55-38(47(52)64)30-44(63)56-39(51(68)69)28-34-22-16-15-17-23-34/h15-17,20-25,32-33,38-39,41,45-46,54,60H,4-14,18-19,26-31H2,1-3H3,(H2,52,64)(H2,53,65)(H,55,61)(H,56,63)(H,57,62)(H,58,66)(H,68,69)/t32-,33-,38+,39-,41?,45+,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370642 (CHEMBL1791326) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccc(N)cc1)C(N)=O Show InChI InChI=1S/C48H74N8O10/c1-4-31(2)42(46(63)54-36(44(50)61)28-34-24-26-35(49)27-25-34)56-47(64)43(32(3)57)55-40(59)23-19-14-12-10-8-6-5-7-9-11-13-18-22-39(58)52-37(45(51)62)30-41(60)53-38(48(65)66)29-33-20-16-15-17-21-33/h15-17,20-21,24-27,31-32,36-38,42-43,57H,4-14,18-19,22-23,28-30,49H2,1-3H3,(H2,50,61)(H2,51,62)(H,52,58)(H,53,60)(H,54,63)(H,55,59)(H,56,64)(H,65,66)/t31-,32-,36-,37+,38-,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus-1 protease				J Med Chem 48: 2239-42 (2005) Article DOI: 10.1021/jm049581j BindingDB Entry DOI: 10.7270/Q2H70GK3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50150543 ((E)-3-{(S)-1-[(S)-1-[11-((S)-1-Carbamoyl-2-methyl-...) Show SMILES CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)\C=C\C(O)=O)C(N)=O Show InChI InChI=1S/C40H62N6O10/c1-3-27(2)37(38(41)52)45-34(48)18-14-9-7-5-4-6-8-10-15-23-42-39(53)30(25-29-19-20-33(47)32(26-29)46(55)56)44-40(54)31(24-28-16-12-11-13-17-28)43-35(49)21-22-36(50)51/h19-22,26-28,30-31,37,47H,3-18,23-25H2,1-2H3,(H2,41,52)(H,42,53)(H,43,49)(H,44,54)(H,45,48)(H,50,51)/b22-21+/t27?,30-,31-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory activity against Human immunodeficiency virus-1 protease				Bioorg Med Chem Lett 14: 4297-300 (2004) Article DOI: 10.1016/j.bmcl.2004.05.081 BindingDB Entry DOI: 10.7270/Q2XG9RW0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50370412 (CHEMBL449777) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C48H73N7O10/c1-32(2)28-37(45(61)52-36(44(50)60)29-34-22-16-14-17-23-34)53-47(63)43(33(3)56)55-42(59)27-21-13-11-9-7-5-4-6-8-10-12-20-26-41(58)51-38(31-40(49)57)46(62)54-39(48(64)65)30-35-24-18-15-19-25-35/h14-19,22-25,32-33,36-39,43,56H,4-13,20-21,26-31H2,1-3H3,(H2,49,57)(H2,50,60)(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)(H,64,65)/t33-,36-,37-,38-,39-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibitory activity against Human immunodeficiency virus-1 protease				Bioorg Med Chem Lett 14: 4297-300 (2004) Article DOI: 10.1016/j.bmcl.2004.05.081 BindingDB Entry DOI: 10.7270/Q2XG9RW0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 65 total )  |  Next  |  Last  >>

Jump to: