Found 2 hits Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM93235' 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 |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93235
(HIV-1 Protease Inhibitor, 6f)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h13-18,23-24,27-28,31-32,35-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this Ligand-Target Pair | |
HIV-1 protease
(Human immunodeficiency virus) | BDBM93235
(HIV-1 Protease Inhibitor, 6f)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h13-18,23-24,27-28,31-32,35-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
| Assay Description Fluorometric assay using HIV-1 protease. |
J Comb Chem 7: 611-7 (2005)
Article DOI: 10.1021/cc050016r BindingDB Entry DOI: 10.7270/Q2GQ6WC5 |
More data for this Ligand-Target Pair | |