Found 28 hits with Last Name = 'bundy' and Initial = 'gl' 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) | BDBM50291064
(CHEMBL130184 | Pyridine-2-sulfonic acid (3-{cyclop...)Show SMILES Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccn2)c1)C(CC1CC1)CC1CC1 Show InChI InChI=1S/C29H32N2O5S/c32-24-17-25(22(14-18-7-8-18)15-19-9-10-19)36-29(33)28(24)27(20-11-12-20)21-4-3-5-23(16-21)31-37(34,35)26-6-1-2-13-30-26/h1-6,13,16-20,22,27,31-32H,7-12,14-15H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291061
(1-Methyl-1H-imidazole-2-sulfonic acid (3-{cyclopro...)Show SMILES Cn1ccnc1S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)cc(oc1=O)C(CC1CC1)CC1CC1 Show InChI InChI=1S/C28H33N3O5S/c1-31-12-11-29-28(31)37(34,35)30-22-4-2-3-20(15-22)25(19-9-10-19)26-23(32)16-24(36-27(26)33)21(13-17-5-6-17)14-18-7-8-18/h2-4,11-12,15-19,21,25,30,32H,5-10,13-14H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM767
(4-Cyano-N-[3-[cyclopropyl(5,6,7,8,9,10-hexahydro-4...)Show SMILES Oc1c2CCCCCCc2oc(=O)c1[C@@H](C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r| Show InChI InChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2/t25-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291055
(CHEMBL16636 | Pyridine-2-sulfonic acid {3-[cyclopr...)Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccn2)c1 Show InChI InChI=1S/C26H28N2O5S/c29-25-20-10-3-1-2-4-11-21(20)33-26(30)24(25)23(17-13-14-17)18-8-7-9-19(16-18)28-34(31,32)22-12-5-6-15-27-22/h5-9,12,15-17,23,28-29H,1-4,10-11,13-14H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291063
(1-Methyl-1H-imidazole-2-sulfonic acid {3-[cyclopro...)Show SMILES Cn1ccnc1S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C25H29N3O5S/c1-28-14-13-26-25(28)34(31,32)27-18-8-6-7-17(15-18)21(16-11-12-16)22-23(29)19-9-4-2-3-5-10-20(19)33-24(22)30/h6-8,13-16,21,27,29H,2-5,9-12H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291057
(4-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-he...)Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(CS(=O)(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C29H29NO5S/c30-17-19-10-14-23(15-11-19)36(33,34)18-20-6-5-7-22(16-20)26(21-12-13-21)27-28(31)24-8-3-1-2-4-9-25(24)35-29(27)32/h5-7,10-11,14-16,21,26,31H,1-4,8-9,12-13,18H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291053
(3-{Cyclopropyl-[3-(pyridine-2-sulfonylmethyl)-phen...)Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(CS(=O)(=O)c2ccccn2)c1 Show InChI InChI=1S/C27H29NO5S/c29-26-21-10-3-1-2-4-11-22(21)33-27(30)25(26)24(19-13-14-19)20-9-7-8-18(16-20)17-34(31,32)23-12-5-6-15-28-23/h5-9,12,15-16,19,24,29H,1-4,10-11,13-14,17H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291060
(3-{Cyclopropyl-[3-(4-fluoro-benzenesulfonylmethyl)...)Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H29FO5S/c29-21-12-14-22(15-13-21)35(32,33)17-18-6-5-7-20(16-18)25(19-10-11-19)26-27(30)23-8-3-1-2-4-9-24(23)34-28(26)31/h5-7,12-16,19,25,30H,1-4,8-11,17H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291068
(6-(2-Cyclopropyl-1-cyclopropylmethyl-ethyl)-3-{cyc...)Show SMILES Oc1cc(oc(=O)c1C(C1CC1)c1cccc(CS(=O)(=O)c2ccccn2)c1)C(CC1CC1)CC1CC1 Show InChI InChI=1S/C30H33NO5S/c32-25-17-26(24(14-19-7-8-19)15-20-9-10-20)36-30(33)29(25)28(22-11-12-22)23-5-3-4-21(16-23)18-37(34,35)27-6-1-2-13-31-27/h1-6,13,16-17,19-20,22,24,28,32H,7-12,14-15,18H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291058
(CHEMBL16400 | N-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5...)Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C27H29NO5S/c29-26-22-13-6-1-2-7-14-23(22)33-27(30)25(26)24(18-15-16-18)19-9-8-10-20(17-19)28-34(31,32)21-11-4-3-5-12-21/h3-5,8-12,17-18,24,28-29H,1-2,6-7,13-16H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291054
(3-{Cyclopropyl-[3-(1-methyl-1H-imidazole-2-sulfony...)Show SMILES Cn1ccnc1S(=O)(=O)Cc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C26H30N2O5S/c1-28-14-13-27-26(28)34(31,32)16-17-7-6-8-19(15-17)22(18-11-12-18)23-24(29)20-9-4-2-3-5-10-21(20)33-25(23)30/h6-8,13-15,18,22,29H,2-5,9-12,16H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM766
(Cyclooctylpyranonesulfonamide deriv. 8e | N-{3-[cy...)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C28H31NO5S/c1-18-11-15-22(16-12-18)35(32,33)29-21-8-6-7-20(17-21)25(19-13-14-19)26-27(30)23-9-4-2-3-5-10-24(23)34-28(26)31/h6-8,11-12,15-17,19,25,29-30H,2-5,9-10,13-14H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291052
(6-(2-Cyclopropyl-1-cyclopropylmethyl-ethyl)-3-{cyc...)Show SMILES Cn1ccnc1S(=O)(=O)Cc1cccc(c1)C(C1CC1)c1c(O)cc(oc1=O)C(CC1CC1)CC1CC1 Show InChI InChI=1S/C29H34N2O5S/c1-31-12-11-30-29(31)37(34,35)17-20-3-2-4-22(15-20)26(21-9-10-21)27-24(32)16-25(36-28(27)33)23(13-18-5-6-18)14-19-7-8-19/h2-4,11-12,15-16,18-19,21,23,26,32H,5-10,13-14,17H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1461
(CHEMBL277309 | N-[3-[Cyclopropyl(5,6,7,8,9,10-hexa...)Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C27H28FNO5S/c28-19-12-14-21(15-13-19)35(32,33)29-20-7-5-6-18(16-20)24(17-10-11-17)25-26(30)22-8-3-1-2-4-9-23(22)34-27(25)31/h5-7,12-17,24,29-30H,1-4,8-11H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291062
(3-{Cyclopropyl-[3-(toluene-4-sulfonylmethyl)-pheny...)Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C29H32O5S/c1-19-11-15-23(16-12-19)35(32,33)18-20-7-6-8-22(17-20)26(21-13-14-21)27-28(30)24-9-4-2-3-5-10-25(24)34-29(27)31/h6-8,11-12,15-17,21,26,30H,2-5,9-10,13-14,18H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291056
(3-[(3-Benzenesulfonyl-phenyl)-cyclopropyl-methyl]-...)Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(CS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C28H30O5S/c29-27-23-13-6-1-2-7-14-24(23)33-28(30)26(27)25(20-15-16-20)21-10-8-9-19(17-21)18-34(31,32)22-11-4-3-5-12-22/h3-5,8-12,17,20,25,29H,1-2,6-7,13-16,18H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291067
(4-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-he...)Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)Cc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C29H30O7S/c30-27-23-8-3-1-2-4-9-24(23)36-29(33)26(27)25(19-10-11-19)21-7-5-6-18(16-21)17-37(34,35)22-14-12-20(13-15-22)28(31)32/h5-7,12-16,19,25,30H,1-4,8-11,17H2,(H,31,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1468
(4-({3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H...)Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C28H29NO7S/c30-26-22-8-3-1-2-4-9-23(22)36-28(33)25(26)24(17-10-11-17)19-6-5-7-20(16-19)29-37(34,35)21-14-12-18(13-15-21)27(31)32/h5-7,12-17,24,29-30H,1-4,8-11H2,(H,31,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1182
(CHEMBL80882 | N-(3-{cyclopropyl[6-(1,3-dicycloprop...)Show SMILES Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)C(CC1CC1)CC1CC1 Show InChI InChI=1S/C30H32FNO5S/c31-23-10-12-25(13-11-23)38(35,36)32-24-3-1-2-21(16-24)28(20-8-9-20)29-26(33)17-27(37-30(29)34)22(14-18-4-5-18)15-19-6-7-19/h1-3,10-13,16-20,22,28,32-33H,4-9,14-15H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50291059
(6-(2-Cyclopropyl-1-cyclopropylmethyl-ethyl)-3-{cyc...)Show SMILES Oc1cc(oc(=O)c1C(C1CC1)c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1)C(CC1CC1)CC1CC1 Show InChI InChI=1S/C31H33FO5S/c32-25-10-12-26(13-11-25)38(35,36)18-21-2-1-3-23(16-21)29(22-8-9-22)30-27(33)17-28(37-31(30)34)24(14-19-4-5-19)15-20-6-7-20/h1-3,10-13,16-17,19-20,22,24,29,33H,4-9,14-15,18H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease. |
Bioorg Med Chem Lett 7: 399-402 (1997)
Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6 |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014102
(Boc-Pro-Phe-N(Me) His-Leu[CHOHCH2]Val-Ile-THAM Ami...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NC(CO)(CO)CO Show InChI InChI=1S/C48H78N8O11/c1-11-31(6)40(44(64)54-48(25-57,26-58)27-59)53-41(61)34(30(4)5)23-39(60)35(20-29(2)3)51-43(63)38(22-33-24-49-28-50-33)55(10)45(65)36(21-32-16-13-12-14-17-32)52-42(62)37-18-15-19-56(37)46(66)67-47(7,8)9/h12-14,16-17,24,28-31,34-40,57-60H,11,15,18-23,25-27H2,1-10H3,(H,49,50)(H,51,63)(H,52,62)(H,53,61)(H,54,64)/t31-,34+,35-,36-,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014100
(2-(1-{[1-{2-Hydroxy-1-isobutyl-5-methyl-4-[2-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014106
(CHEMBL429882 | N-[[[2-Hydroxy-1,1-bis(hydroxymethy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H76N10O10/c1-8-33(6)43(47(68)53-26-35-17-12-13-19-52-35)57-44(65)37(32(4)5)24-42(64)38(21-31(2)3)55-46(67)41(23-36-25-51-30-54-36)59(7)48(69)39(22-34-15-10-9-11-16-34)56-45(66)40-18-14-20-60(40)49(70)58-50(27-61,28-62)29-63/h9-13,15-17,19,25,30-33,37-43,61-64H,8,14,18,20-24,26-29H2,1-7H3,(H,51,54)(H,53,68)(H,55,67)(H,56,66)(H,57,65)(H,58,70)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014105
(2-(1-{[1-{2-Hydroxy-1-isobutyl-5-methyl-4-[2-methy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)OCc1ccccn1 Show InChI InChI=1S/C50H74N8O9/c1-11-33(6)43(48(64)66-29-35-20-15-16-22-52-35)56-44(60)37(32(4)5)27-42(59)38(24-31(2)3)54-46(62)41(26-36-28-51-30-53-36)57(10)47(63)39(25-34-18-13-12-14-19-34)55-45(61)40-21-17-23-58(40)49(65)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,59H,11,17,21,23-27,29H2,1-10H3,(H,51,53)(H,54,62)(H,55,61)(H,56,60)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014099
(CHEMBL414795 | N-[(D-Glucosylamino)carbonyl]-Pro-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C52H78N10O12/c1-8-31(6)42(49(70)55-26-33-17-12-13-19-54-33)59-46(67)35(30(4)5)24-40(64)36(21-29(2)3)57-48(69)39(23-34-25-53-28-56-34)61(7)50(71)37(22-32-15-10-9-11-16-32)58-47(68)38-18-14-20-62(38)52(73)60-43-45(66)44(65)41(27-63)74-51(43)72/h9-13,15-17,19,25,28-31,35-45,51,63-66,72H,8,14,18,20-24,26-27H2,1-7H3,(H,53,56)(H,55,70)(H,57,69)(H,58,68)(H,59,67)(H,60,73)/t31-,35+,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,51-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014104
(CHEMBL410067 | N-[[[2-Hydroxy-1,1-bis(hydroxymethy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)OCc1ccccn1 Show InChI InChI=1S/C50H75N9O11/c1-8-33(6)43(48(68)70-26-35-17-12-13-19-52-35)56-44(64)37(32(4)5)24-42(63)38(21-31(2)3)54-46(66)41(23-36-25-51-30-53-36)58(7)47(67)39(22-34-15-10-9-11-16-34)55-45(65)40-18-14-20-59(40)49(69)57-50(27-60,28-61)29-62/h9-13,15-17,19,25,30-33,37-43,60-63H,8,14,18,20-24,26-29H2,1-7H3,(H,51,53)(H,54,66)(H,55,65)(H,56,64)(H,57,69)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014101
(CHEMBL265833 | N-[4,5-Dihydro-4,4-bis(hydroxymethy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1=NC(CO)(CO)CO1)C(C)C)C(=O)OCc1ccccn1 |t:50| Show InChI InChI=1S/C50H73N9O10/c1-8-33(6)43(48(67)68-26-35-17-12-13-19-52-35)56-44(63)37(32(4)5)24-42(62)38(21-31(2)3)54-46(65)41(23-36-25-51-30-53-36)58(7)47(66)39(22-34-15-10-9-11-16-34)55-45(64)40-18-14-20-59(40)49-57-50(27-60,28-61)29-69-49/h9-13,15-17,19,25,30-33,37-43,60-62H,8,14,18,20-24,26-29H2,1-7H3,(H,51,53)(H,54,65)(H,55,64)(H,56,63)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50014103
(CHEMBL263257 | N-[(D-Glucosylamino)carbonyl]-Pro-P...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)C(C)C)C(=O)OCc1ccccn1 Show InChI InChI=1S/C52H77N9O13/c1-8-31(6)42(50(70)73-27-33-17-12-13-19-54-33)58-46(66)35(30(4)5)24-40(63)36(21-29(2)3)56-48(68)39(23-34-25-53-28-55-34)60(7)49(69)37(22-32-15-10-9-11-16-32)57-47(67)38-18-14-20-61(38)52(72)59-43-45(65)44(64)41(26-62)74-51(43)71/h9-13,15-17,19,25,28-31,35-45,51,62-65,71H,8,14,18,20-24,26-27H2,1-7H3,(H,53,55)(H,56,68)(H,57,67)(H,58,66)(H,59,72)/t31-,35+,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,51-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description Tested invitro for inhibitory activity against plasma renin in rat models |
J Med Chem 33: 2276-83 (1990)
BindingDB Entry DOI: 10.7270/Q28C9V7S |
More data for this Ligand-Target Pair | |