BDBM193 (5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(3-methoxyphenyl)methyl]-1,2,4-triazepan-3-one::Azacyclic Urea::Unnamed azacyclic urea::azacyclic urea
SMILES: COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3cccc(OC)c3)C2=O)c1
InChI Key: InChIKey=POTVKRBLAIMCGT-CZNDPXEESA-N
Data: 1 KI
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM193 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(3-methoxyp...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.220 | -13.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 30 |
Abbott Laboratories | Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P... | J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6 | |||||||||||
More data for this Ligand-Target Pair |