Compile Data Set for Download or QSAR

Found 877 hits of ph data with Target = 'Gag-Pol polyprotein'   

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 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180239 (US9133157, 124) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2ccccc2)c2ccccc2F)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C40H39FN4O5S3/c1-26(2)23-45(53(49,50)30-18-19-33-36(21-30)51-25-43-33)34(24-46)35-20-17-29(52-35)22-42-40(48)38(44-39(47)28-13-7-4-8-14-28)37(27-11-5-3-6-12-27)31-15-9-10-16-32(31)41/h3-21,25-26,34,37-38,46H,22-24H2,1-2H3,(H,42,48)(H,44,47)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	568	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180240 (US9133157, 125) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2ccccc2)c2ccnc3ccccc23)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C43H41N5O5S3/c1-28(2)25-48(56(52,53)32-18-19-36-39(23-32)54-27-46-36)37(26-49)38-20-17-31(55-38)24-45-43(51)41(47-42(50)30-13-7-4-8-14-30)40(29-11-5-3-6-12-29)34-21-22-44-35-16-10-9-15-33(34)35/h3-23,27-28,37,40-41,49H,24-26H2,1-2H3,(H,45,51)(H,47,50)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	409	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180241 (US9133157, 126) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2c[nH]c3ncccc23)c2ccccc2)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180242 (US9133157, 127) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2cn(C)c3ccccc23)c2ccccc2)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C43H43N5O5S3/c1-28(2)24-48(56(52,53)32-19-20-35-39(22-32)54-27-45-35)37(26-49)38-21-18-31(55-38)23-44-43(51)41(46-42(50)30-14-8-5-9-15-30)40(29-12-6-4-7-13-29)34-25-47(3)36-17-11-10-16-33(34)36/h4-22,25,27-28,37,40-41,49H,23-24,26H2,1-3H3,(H,44,51)(H,46,50)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180243 (US9133157, 128) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2ccccc2)c2ccccc2)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C40H40N4O5S3/c1-27(2)24-44(52(48,49)32-19-20-33-36(22-32)50-26-42-33)34(25-45)35-21-18-31(51-35)23-41-40(47)38(43-39(46)30-16-10-5-11-17-30)37(28-12-6-3-7-13-28)29-14-8-4-9-15-29/h3-22,26-27,34,37-38,45H,23-25H2,1-2H3,(H,41,47)(H,43,46)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180244 (US9133157, 129) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2ccccc2)c2cccc3ccncc23)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C43H41N5O5S3/c1-28(2)25-48(56(52,53)33-17-18-36-39(22-33)54-27-46-36)37(26-49)38-19-16-32(55-38)23-45-43(51)41(47-42(50)31-12-7-4-8-13-31)40(30-10-5-3-6-11-30)34-15-9-14-29-20-21-44-24-35(29)34/h3-22,24,27-28,37,40-41,49H,23,25-26H2,1-2H3,(H,45,51)(H,47,50)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180245 (US9133157, 130) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2c[nH]nc2-c2ccccc2)c2ccccc2)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	952	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180246 (US9133157, 131) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2cn[nH]c2)c2ccccc2)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180247 (US9133157, 132) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2cnc[nH]2)c2ccccc2)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	216	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180248 (US9133157, 133) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2ccccc2)c2cccc3ncccc23)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C43H41N5O5S3/c1-28(2)25-48(56(52,53)32-19-20-36-39(23-32)54-27-46-36)37(26-49)38-21-18-31(55-38)24-45-43(51)41(47-42(50)30-13-7-4-8-14-30)40(29-11-5-3-6-12-29)34-15-9-17-35-33(34)16-10-22-44-35/h3-23,27-28,37,40-41,49H,24-26H2,1-2H3,(H,45,51)(H,47,50)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.76	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180249 (US9133157, 134) Show SMILES CC(C)CN(C(CO)c1ccc(CNC(=O)C(NC(=O)c2ccccc2)C(c2ccccc2)c2cccc3cccnc23)s1)S(=O)(=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C43H41N5O5S3/c1-28(2)25-48(56(52,53)33-19-20-35-38(23-33)54-27-46-35)36(26-49)37-21-18-32(55-37)24-45-43(51)41(47-42(50)31-13-7-4-8-14-31)39(29-11-5-3-6-12-29)34-17-9-15-30-16-10-22-44-40(30)34/h3-23,27-28,36,39,41,49H,24-26H2,1-2H3,(H,45,51)(H,47,50)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15.2	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180175 (US9133157, 57) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(N)cn1)C(F)(F)F |r| Show InChI InChI=1S/C36H42F3N5O6S2/c1-35(2,3)19-20-44(52(48,49)29-18-15-25(40)21-41-29)26(22-45)27-16-17-28(51-27)32(36(37,38)39)43-33(46)31(42-34(47)50-4)30(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21,26,30-32,45H,19-20,22,40H2,1-4H3,(H,42,47)(H,43,46)/t26-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.32	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180176 (US9133157, 58) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2snnc2c1)C(F)(F)F |r| Show InChI InChI=1S/C37H40F3N5O6S3/c1-36(2,3)19-20-45(54(49,50)25-15-16-28-26(21-25)43-44-53-28)27(22-46)29-17-18-30(52-29)33(37(38,39)40)42-34(47)32(41-35(48)51-4)31(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21,27,31-33,46H,19-20,22H2,1-4H3,(H,41,48)(H,42,47)/t27-,32+,33-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.71	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180177 (US9133157, 59) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1cccc2[nH]ccc12)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.22	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180178 (US9133157, 60) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C35H39F3N4O6S2/c1-22(2)20-42(50(46,47)26-16-14-25(39)15-17-26)27(21-43)28-18-19-29(49-28)32(35(36,37)38)41-33(44)31(40-34(45)48-3)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,22,27,30-32,43H,20-21,39H2,1-3H3,(H,40,45)(H,41,44)/t27-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.01	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180179 (US9133157, 61) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](c1ccc(s1)[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C35H39F3N4O6S2/c1-22(2)20-42(50(46,47)26-16-14-25(39)15-17-26)27(21-43)28-18-19-29(49-28)32(35(36,37)38)41-33(44)31(40-34(45)48-3)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,22,27,30-32,43H,20-21,39H2,1-3H3,(H,40,45)(H,41,44)/t27-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180180 (US9133157, 62) Show SMILES CCN([C@H](CO)c1ccc(s1)[C@@H](NC(=O)[C@@H](NC(=O)OC)C(c1ccccc1)c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H35F3N4O6S2/c1-3-40(48(44,45)24-16-14-23(37)15-17-24)25(20-41)26-18-19-27(47-26)30(33(34,35)36)39-31(42)29(38-32(43)46-2)28(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-19,25,28-30,41H,3,20,37H2,1-2H3,(H,38,43)(H,39,42)/t25-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18.5	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180181 (US9133157, 63) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C1CC1)c1ccc(s1)[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C37H44N4O6S2/c1-24(2)22-41(49(45,46)29-18-16-28(38)17-19-29)30(23-42)31-20-21-32(48-31)34(27-14-15-27)39-36(43)35(40-37(44)47-3)33(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,16-21,24,27,30,33-35,42H,14-15,22-23,38H2,1-3H3,(H,39,43)(H,40,44)/t30-,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180182 (US9133157, 64) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NC(C)(C)c1ccc(s1)C(CO)N(CCC(C)C)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C37H45N3O6S2/c1-26(2)23-24-40(48(44,45)29-19-13-8-14-20-29)30(25-41)31-21-22-32(47-31)37(3,4)39-35(42)34(38-36(43)46-5)33(27-15-9-6-10-16-27)28-17-11-7-12-18-28/h6-22,26,30,33-34,41H,23-25H2,1-5H3,(H,38,43)(H,39,42)/t30?,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.48	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180183 (US9133157, 65) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(CO)cc1)C(F)(F)F |r| Show InChI InChI=1S/C35H38F3N3O7S2/c1-22(2)41(50(46,47)26-16-14-23(20-42)15-17-26)27(21-43)28-18-19-29(49-28)32(35(36,37)38)40-33(44)31(39-34(45)48-3)30(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-19,22,27,30-32,42-43H,20-21H2,1-3H3,(H,39,45)(H,40,44)/t27-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180184 (US9133157, 66) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(s1)[C@@H](CO)N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc(cc1)C(C)O |r| Show InChI InChI=1S/C37H41F2N3O7S2/c1-24(44)26-13-16-30(17-14-26)51(47,48)42(22-25-19-37(38,39)20-25)31(23-43)32-18-15-29(50-32)21-40-35(45)34(41-36(46)49-2)33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-18,24-25,31,33-34,43-44H,19-23H2,1-2H3,(H,40,45)(H,41,46)/t24?,31-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.97	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180185 (US9133157, 67) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(s1)[C@@H](CO)N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C37H39F2N3O7S2/c1-24(44)26-13-16-30(17-14-26)51(47,48)42(22-25-19-37(38,39)20-25)31(23-43)32-18-15-29(50-32)21-40-35(45)34(41-36(46)49-2)33(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-18,25,31,33-34,43H,19-23H2,1-2H3,(H,40,45)(H,41,46)/t31-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.9	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180186 (US9133157, 68) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)C(CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(OC)nc1)C(F)(F)F |r| Show InChI InChI=1S/C37H43F3N4O7S2/c1-36(2,3)20-21-44(53(48,49)26-16-19-30(50-4)41-22-26)27(23-45)28-17-18-29(52-28)33(37(38,39)40)43-34(46)32(42-35(47)51-5)31(24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,22,27,31-33,45H,20-21,23H2,1-5H3,(H,42,47)(H,43,46)/t27?,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27.5	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180187 (US9133157, 69) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(=O)[nH]c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.42	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180188 (US9133157, 70) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(NC(=O)OC)cc1)C(F)(F)F |r| Show InChI InChI=1S/C39H45F3N4O8S2/c1-38(2,3)22-23-46(56(51,52)28-18-16-27(17-19-28)43-36(49)53-4)29(24-47)30-20-21-31(55-30)34(39(40,41)42)45-35(48)33(44-37(50)54-5)32(25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-21,29,32-34,47H,22-24H2,1-5H3,(H,43,49)(H,44,50)(H,45,48)/t29-,33+,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.16	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180189 (US9133157, 71) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2nccn2c1)C(F)(F)F |r| Show InChI InChI=1S/C38H42F3N5O6S2/c1-37(2,3)19-21-46(54(50,51)27-15-18-31-42-20-22-45(31)23-27)28(24-47)29-16-17-30(53-29)34(38(39,40)41)44-35(48)33(43-36(49)52-4)32(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-18,20,22-23,28,32-34,47H,19,21,24H2,1-4H3,(H,43,49)(H,44,48)/t28-,33+,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.64	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180190 (US9133157, 72) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)C1=CC2NC=C(Cl)C2C=C1)C(F)(F)F |r,c:53,t:44,48| Show InChI InChI=1S/C39H44ClF3N4O6S2/c1-38(2,3)19-20-47(55(51,52)26-15-16-27-28(40)22-44-29(27)21-26)30(23-48)31-17-18-32(54-31)35(39(41,42)43)46-36(49)34(45-37(50)53-4)33(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21-22,27,29-30,33-35,44,48H,19-20,23H2,1-4H3,(H,45,50)(H,46,49)/t27?,29?,30-,34+,35-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43.8	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180191 (US9133157, 73) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2ncccc2c1)C(F)(F)F |r| Show InChI InChI=1S/C40H43F3N4O6S2/c1-39(2,3)21-23-47(55(51,52)29-17-18-30-28(24-29)16-11-22-44-30)31(25-48)32-19-20-33(54-32)36(40(41,42)43)46-37(49)35(45-38(50)53-4)34(26-12-7-5-8-13-26)27-14-9-6-10-15-27/h5-20,22,24,31,34-36,48H,21,23,25H2,1-4H3,(H,45,50)(H,46,49)/t31-,35+,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.03	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180192 (US9133157, 74) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2nc[nH]c2c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180193 (US9133157, 75) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C34H40N4O6S2/c1-22(2)38(46(42,43)27-17-15-26(35)16-18-27)28(21-39)30-20-19-29(45-30)23(3)36-33(40)32(37-34(41)44-4)31(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-20,22-23,28,31-32,39H,21,35H2,1-4H3,(H,36,40)(H,37,41)/t23-,28+,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.89	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180194 (US9133157, 76) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)c1ccc(s1)[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C35H42N4O6S2/c1-23(2)21-39(47(43,44)28-17-15-27(36)16-18-28)29(22-40)31-20-19-30(46-31)24(3)37-34(41)33(38-35(42)45-4)32(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-20,23-24,29,32-33,40H,21-22,36H2,1-4H3,(H,37,41)(H,38,42)/t24-,29+,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.8	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM60624 (BDBM180195 | US9133157, 47) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C34H37F3N4O6S2/c1-21(2)41(49(45,46)25-16-14-24(38)15-17-25)26(20-42)27-18-19-28(48-27)31(34(35,36)37)40-32(43)30(39-33(44)47-3)29(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-19,21,26,29-31,42H,20,38H2,1-3H3,(H,39,44)(H,40,43)/t26-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180196 (US9133157, 78) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc2[nH]ccc2c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66.1	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180197 (US9133157, 79) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc2cc[nH]c2c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180198 (US9133157, 80) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C34H36F4N4O6S2/c1-20(2)42(50(46,47)23-14-15-25(39)24(35)18-23)26(19-43)27-16-17-28(49-27)31(34(36,37)38)41-32(44)30(40-33(45)48-3)29(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-18,20,26,29-31,43H,19,39H2,1-3H3,(H,40,45)(H,41,44)/t26-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30.5	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180199 (US9133157, 81) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc2cn[nH]c2c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	74.1	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180200 (US9133157, 82) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)c(Cl)c1)C(F)(F)F |r| Show InChI InChI=1S/C34H36ClF3N4O6S2/c1-20(2)42(50(46,47)23-14-15-25(39)24(35)18-23)26(19-43)27-16-17-28(49-27)31(34(36,37)38)41-32(44)30(40-33(45)48-3)29(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-18,20,26,29-31,43H,19,39H2,1-3H3,(H,40,45)(H,41,44)/t26-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	92.5	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180201 (US9133157, 83) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C36H41F3N4O6S2/c1-23(2)20-21-43(51(47,48)27-16-14-26(40)15-17-27)28(22-44)29-18-19-30(50-29)33(36(37,38)39)42-34(45)32(41-35(46)49-3)31(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-19,23,28,31-33,44H,20-22,40H2,1-3H3,(H,41,46)(H,42,45)/t28-,32+,33-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180202 (US9133157, 84) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C36H37F5N4O6S2/c1-51-34(48)43-31(30(23-8-4-2-5-9-23)24-10-6-3-7-11-24)33(47)44-32(36(39,40)41)29-17-16-28(52-29)27(21-46)45(20-22-18-35(37,38)19-22)53(49,50)26-14-12-25(42)13-15-26/h2-17,22,27,30-32,46H,18-21,42H2,1H3,(H,43,48)(H,44,47)/t27-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180203 (US9133157, 85) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(F)(F)F)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C34H34F6N4O6S2/c1-50-32(47)42-29(28(21-8-4-2-5-9-21)22-10-6-3-7-11-22)31(46)43-30(34(38,39)40)27-17-16-26(51-27)25(20-45)44(19-18-33(35,36)37)52(48,49)24-14-12-23(41)13-15-24/h2-17,25,28-30,45H,18-20,41H2,1H3,(H,42,47)(H,43,46)/t25-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180204 (US9133157, 86) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC1CC1)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C36H39F3N4O6S2/c1-49-35(46)41-32(31(24-8-4-2-5-9-24)25-10-6-3-7-11-25)34(45)42-33(36(37,38)39)30-19-18-29(50-30)28(22-44)43(21-20-23-12-13-23)51(47,48)27-16-14-26(40)15-17-27/h2-11,14-19,23,28,31-33,44H,12-13,20-22,40H2,1H3,(H,41,46)(H,42,45)/t28-,32+,33-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180205 (US9133157, 87) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)NS(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C31H31F3N4O6S2/c1-44-30(41)36-27(26(19-8-4-2-5-9-19)20-10-6-3-7-11-20)29(40)37-28(31(32,33)34)25-17-16-24(45-25)23(18-39)38-46(42,43)22-14-12-21(35)13-15-22/h2-17,23,26-28,38-39H,18,35H2,1H3,(H,36,41)(H,37,40)/t23-,27+,28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	194	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180206 (US9133157, 88) Show SMILES CCCCN([C@H](CO)c1ccc(s1)[C@@H](NC(=O)[C@@H](NC(=O)OC)C(c1ccccc1)c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C35H39F3N4O6S2/c1-3-4-21-42(50(46,47)26-17-15-25(39)16-18-26)27(22-43)28-19-20-29(49-28)32(35(36,37)38)41-33(44)31(40-34(45)48-2)30(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-20,27,30-32,43H,3-4,21-22,39H2,1-2H3,(H,40,45)(H,41,44)/t27-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180207 (US9133157, 89) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCc1ccccc1)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C39H39F3N4O6S2/c1-52-38(49)44-35(34(27-13-7-3-8-14-27)28-15-9-4-10-16-28)37(48)45-36(39(40,41)42)33-22-21-32(53-33)31(25-47)46(24-23-26-11-5-2-6-12-26)54(50,51)30-19-17-29(43)18-20-30/h2-22,31,34-36,47H,23-25,43H2,1H3,(H,44,49)(H,45,48)/t31-,35+,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180208 (US9133157, 90) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(cc1)-c1cnco1)C(F)(F)F |r| Show InChI InChI=1S/C40H43F3N4O7S2/c1-39(2,3)21-22-47(56(51,52)29-17-15-26(16-18-29)31-23-44-25-54-31)30(24-48)32-19-20-33(55-32)36(40(41,42)43)46-37(49)35(45-38(50)53-4)34(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-20,23,25,30,34-36,48H,21-22,24H2,1-4H3,(H,45,50)(H,46,49)/t30-,35+,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.9	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180209 (US9133157, 91) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2scnc2c1)C(F)(F)F |r| Show InChI InChI=1S/C38H41F3N4O6S3/c1-37(2,3)19-20-45(54(49,50)26-15-16-29-27(21-26)42-23-52-29)28(22-46)30-17-18-31(53-30)34(38(39,40)41)44-35(47)33(43-36(48)51-4)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21,23,28,32-34,46H,19-20,22H2,1-4H3,(H,43,48)(H,44,47)/t28-,33+,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180210 (US9133157, 92) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(cc1)-c1ccn(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C41H46F3N5O6S2/c1-40(2,3)23-25-49(57(53,54)30-18-16-27(17-19-30)31-22-24-48(4)47-31)32(26-50)33-20-21-34(56-33)37(41(42,43)44)46-38(51)36(45-39(52)55-5)35(28-12-8-6-9-13-28)29-14-10-7-11-15-29/h6-22,24,32,35-37,50H,23,25-26H2,1-5H3,(H,45,52)(H,46,51)/t32-,36+,37-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66.6	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180211 (US9133157, 93) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2[nH]ncc2c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180212 (US9133157, 94) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2cc[nH]c2c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180213 (US9133157, 95) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1cc2ccccc2s1)C(F)(F)F |r| Show InChI InChI=1S/C39H42F3N3O6S3/c1-38(2,3)21-22-45(54(49,50)32-23-27-17-11-12-18-29(27)53-32)28(24-46)30-19-20-31(52-30)35(39(40,41)42)44-36(47)34(43-37(48)51-4)33(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-20,23,28,33-35,46H,21-22,24H2,1-4H3,(H,43,48)(H,44,47)/t28-,34+,35-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.95	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
					More data for this Ligand-Target Pair

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