BDBM97451 Aspartyl protease inhibitor, 17
SMILES: COc1cc(Br)c(OC(=O)N(CC2C[NH2+]C[C@H]2CN(CCc2ccc(Cl)cc2Cl)C(=O)CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cc1OC
InChI Key: InChIKey=ZADOAXKTBHWISO-XLTVJXRZSA-O
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin D (Homo sapiens (Human)) | BDBM97451 (Aspartyl protease inhibitor, 17) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 570 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Philipps-Universität Marburg | Assay Description Binding constants for inhibition of HIV protease were determined as previously described. | ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus type 1 (HIV-1)) | BDBM97451 (Aspartyl protease inhibitor, 17) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.21E+4 | n/a | n/a | n/a | n/a | 5.5 | n/a |
Philipps-Universität Marburg | Assay Description Binding constants for inhibition of HIV protease were determined as previously described. | ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M | |||||||||||
More data for this Ligand-Target Pair |