BDBM50133979 (3S,3aR,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(4-isopropoxy-benzenesulfonyl)-pyrrolidine-2-carbonyl]-3-methyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one::CHEMBL138427
SMILES: CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1
InChI Key: InChIKey=FDICKMFGPCJIEH-IRNNPGBSSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human herpes virus 5 capsid protein P40 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50133979 ((3S,3aR,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(4-is...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 39 | 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 | |||||||||||||
Human herpes virus 5 capsid protein P40 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50133979 ((3S,3aR,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(4-is...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 400 | 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 |