BDBM50133969 (S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl)-pyrrolidine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide::CHEMBL138346
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)N(C(=O)C2CC2)C1=O
InChI Key: InChIKey=MUKSNMPSLGQSBW-ZQEOTTOMSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50133969 ((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay | J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50133969 ((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of human cytomegalovirus protease in HCMV pNA assay. | J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8 | |||||||||||
More data for this Ligand-Target Pair |