Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1142   

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
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9206 ((2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-[(3-cyanoph...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2cccc(c2)C#N)C1=O |r| Show InChI InChI=1S/C40H41N3O4/c41-25-30-15-9-14-29(18-30)20-33-22-34(21-28-12-5-2-6-13-28)43(40(33)47)26-35(44)23-32(19-27-10-3-1-4-11-27)39(46)42-38-36-17-8-7-16-31(36)24-37(38)45/h1-18,32-35,37-38,44-45H,19-24,26H2,(H,42,46)/t32-,33+,34+,35+,37-,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0500	-58.8	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9210 ((2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-[(3-hydroxy...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2cccc(O)c2)C1=O |r| Show InChI InChI=1S/C39H42N2O5/c42-33-16-9-14-28(21-33)19-31-22-32(20-27-12-5-2-6-13-27)41(39(31)46)25-34(43)23-30(18-26-10-3-1-4-11-26)38(45)40-37-35-17-8-7-15-29(35)24-36(37)44/h1-17,21,30-32,34,36-37,42-44H,18-20,22-25H2,(H,40,45)/t30-,31+,32+,34+,36-,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0500	-58.8	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9212 (3-{[(3S,5R)-5-benzyl-1-[(2S,4R)-2-hydroxy-4-{[(1S,...) Show SMILES NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccc(OCCO)cc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C42H47N3O7/c43-40(49)31-11-6-9-29(20-31)21-33-23-34(22-27-7-2-1-3-8-27)45(42(33)51)26-35(47)24-32(19-28-13-15-36(16-14-28)52-18-17-46)41(50)44-39-37-12-5-4-10-30(37)25-38(39)48/h1-16,20,32-35,38-39,46-48H,17-19,21-26H2,(H2,43,49)(H,44,50)/t32-,33+,34+,35+,38-,39+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0500	-58.8	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9214 ((2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-{[3-(cyanom...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2cccc(OCC#N)c2)C1=O |r| Show InChI InChI=1S/C41H43N3O5/c42-18-19-49-36-16-9-14-30(23-36)21-33-24-34(22-29-12-5-2-6-13-29)44(41(33)48)27-35(45)25-32(20-28-10-3-1-4-11-28)40(47)43-39-37-17-8-7-15-31(37)26-38(39)46/h1-17,23,32-35,38-39,45-46H,19-22,24-27H2,(H,43,47)/t32-,33+,34+,35+,38-,39+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	-57.6	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9215 ((2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-{[3-(carbam...) Show SMILES NC(=O)COc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C41H45N3O6/c42-38(47)26-50-35-16-9-14-29(21-35)19-32-22-33(20-28-12-5-2-6-13-28)44(41(32)49)25-34(45)23-31(18-27-10-3-1-4-11-27)40(48)43-39-36-17-8-7-15-30(36)24-37(39)46/h1-17,21,31-34,37,39,45-46H,18-20,22-26H2,(H2,42,47)(H,43,48)/t31-,32+,33+,34+,37-,39+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0900	-57.3	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9213 (3-{[(3S,5R)-5-benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy...) Show SMILES NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H43N3O5/c41-38(46)30-16-9-14-28(19-30)20-32-22-33(21-27-12-5-2-6-13-27)43(40(32)48)25-34(44)23-31(18-26-10-3-1-4-11-26)39(47)42-37-35-17-8-7-15-29(35)24-36(37)45/h1-17,19,31-34,36-37,44-45H,18,20-25H2,(H2,41,46)(H,42,47)/t31-,32+,33+,34+,36-,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9208 ((2R,4S)-5-[(3S,5R)-3-[(3-aminophenyl)methyl]-5-ben...) Show SMILES Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C39H43N3O4/c40-32-16-9-14-28(20-32)19-31-22-33(21-27-12-5-2-6-13-27)42(39(31)46)25-34(43)23-30(18-26-10-3-1-4-11-26)38(45)41-37-35-17-8-7-15-29(35)24-36(37)44/h1-17,20,30-31,33-34,36-37,43-44H,18-19,21-25,40H2,(H,41,45)/t30-,31+,33+,34+,36-,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9218 (Pyrrolidone scaffold 26 | ethyl 2-{[(3-{[(3S,5R)-5...) Show SMILES CCOC(=O)CNC(=O)Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C44H50N4O7/c1-2-55-40(51)27-45-44(54)46-35-18-11-16-31(22-35)21-34-24-36(23-30-14-7-4-8-15-30)48(43(34)53)28-37(49)25-33(20-29-12-5-3-6-13-29)42(52)47-41-38-19-10-9-17-32(38)26-39(41)50/h3-19,22,33-34,36-37,39,41,49-50H,2,20-21,23-28H2,1H3,(H,47,52)(H2,45,46,54)/t33-,34+,36+,37+,39-,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9217 (3-{[(3S,5R)-5-benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2cccc(c2)C(=O)NCCN2CCOCC2)C1=O |r| Show InChI InChI=1S/C46H54N4O6/c51-40(29-37(24-32-10-3-1-4-11-32)45(54)48-43-41-17-8-7-15-35(41)30-42(43)52)31-50-39(27-33-12-5-2-6-13-33)28-38(46(50)55)26-34-14-9-16-36(25-34)44(53)47-18-19-49-20-22-56-23-21-49/h1-17,25,37-40,42-43,51-52H,18-24,26-31H2,(H,47,53)(H,48,54)/t37-,38+,39+,40+,42-,43+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	-56.1	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9219 ((2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-({3-[(ethyl...) Show SMILES CCNC(=O)Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C42H48N4O5/c1-2-43-42(51)44-34-18-11-16-30(22-34)21-33-24-35(23-29-14-7-4-8-15-29)46(41(33)50)27-36(47)25-32(20-28-12-5-3-6-13-28)40(49)45-39-37-19-10-9-17-31(37)26-38(39)48/h3-19,22,32-33,35-36,38-39,47-48H,2,20-21,23-27H2,1H3,(H,45,49)(H2,43,44,51)/t32-,33+,35+,36+,38-,39+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9216 (3-{[(3S,5R)-5-benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy...) Show SMILES OCCOCCNC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C44H51N3O7/c48-19-21-54-20-18-45-42(51)34-16-9-14-32(23-34)24-36-26-37(25-31-12-5-2-6-13-31)47(44(36)53)29-38(49)27-35(22-30-10-3-1-4-11-30)43(52)46-41-39-17-8-7-15-33(39)28-40(41)50/h1-17,23,35-38,40-41,48-50H,18-22,24-29H2,(H,45,51)(H,46,52)/t35-,36+,37+,38+,40-,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.240	-54.9	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9220 ((2R,4S)-2-benzyl-5-[(5R)-5-benzyl-2-oxo-3-(pyridin...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC(Cc2ccncc2)C1=O |r,w:35.39| Show InChI InChI=1S/C38H41N3O4/c42-33(25-41-32(21-27-11-5-2-6-12-27)22-31(38(41)45)20-28-15-17-39-18-16-28)23-30(19-26-9-3-1-4-10-26)37(44)40-36-34-14-8-7-13-29(34)24-35(36)43/h1-18,30-33,35-36,42-43H,19-25H2,(H,40,44)/t30-,31?,32+,33+,35-,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.310	-54.3	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9207 ((2R,4S)-2-benzyl-5-[(5R)-5-benzyl-3-[(4-cyanopheny...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC(Cc2ccc(cc2)C#N)C1=O |r,w:35.39| Show InChI InChI=1S/C40H41N3O4/c41-25-30-17-15-29(16-18-30)20-33-22-34(21-28-11-5-2-6-12-28)43(40(33)47)26-35(44)23-32(19-27-9-3-1-4-10-27)39(46)42-38-36-14-8-7-13-31(36)24-37(38)45/h1-18,32-35,37-38,44-45H,19-24,26H2,(H,42,46)/t32-,33?,34+,35+,37-,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.340	-54.0	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9211 (Pyrrolidone scaffold 20b | methyl 3-{[(3S,5R)-5-be...) Show SMILES COC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C41H44N2O6/c1-49-41(48)31-17-10-15-29(20-31)21-33-23-34(22-28-13-6-3-7-14-28)43(40(33)47)26-35(44)24-32(19-27-11-4-2-5-12-27)39(46)42-38-36-18-9-8-16-30(36)25-37(38)45/h2-18,20,32-35,37-38,44-45H,19,21-26H2,1H3,(H,42,46)/t32-,33+,34+,35+,37-,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.420	-53.5	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9209 ((2R,4S)-5-[(5R)-3-[(4-aminophenyl)methyl]-5-benzyl...) Show SMILES Nc1ccc(CC2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc1 |r,w:6.5| Show InChI InChI=1S/C39H43N3O4/c40-32-17-15-28(16-18-32)20-31-22-33(21-27-11-5-2-6-12-27)42(39(31)46)25-34(43)23-30(19-26-9-3-1-4-10-26)38(45)41-37-35-14-8-7-13-29(35)24-36(37)44/h1-18,30-31,33-34,36-37,43-44H,19-25,40H2,(H,41,45)/t30-,31?,33+,34+,36-,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	-49.3	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9221 ((2S)-3-[(5S)-5-benzyl-3-oxo-2-(prop-2-en-1-yl)morp...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COC(CC=C)C1=O)CC1CCCC1 |r| Show InChI InChI=1S/C30H40N2O6S/c1-3-9-29-30(34)32(25(22-38-29)18-23-10-5-4-6-11-23)21-26(33)20-31(19-24-12-7-8-13-24)39(35,36)28-16-14-27(37-2)15-17-28/h3-6,10-11,14-17,24-26,29,33H,1,7-9,12-13,18-22H2,2H3/t25-,26+,29?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9222 ((2S)-N-(cyclopentylmethyl)-3-[(5S)-2,5-dibenzyl-3-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COC(Cc2ccccc2)C1=O)CC1CCCC1 |r| Show InChI InChI=1S/C34H42N2O6S/c1-41-31-16-18-32(19-17-31)43(39,40)35(22-28-14-8-9-15-28)23-30(37)24-36-29(20-26-10-4-2-5-11-26)25-42-33(34(36)38)21-27-12-6-3-7-13-27/h2-7,10-13,16-19,28-30,33,37H,8-9,14-15,20-25H2,1H3/t29-,30+,33?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
					More data for this Ligand-Target Pair