BDBM590 (2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)methyl]-N-(2-{[(2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}ethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::CHEMBL105851::[2R-[2a(R*),4B]]-4,4 -[ 1,2-Ethanediylbis[ aminocarbonyl]]-bis[N-ethyl-5,5-dimethyl-a-[ (phenylacetyl)amino]-2-thiazolidineacetamide]::penicillin Et(NH)2 Sym dimmer::penicillin deriv. 3
SMILES: [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC
InChI Key: InChIKey=YPQFZEWXZJFGOG-HTCODBRUSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM590 ((2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | 6.0 | 37 |
Glaxo Group Research Ltd. | Assay Description IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a... | J Med Chem 36: 3120-8 (1993) Article DOI: 10.1021/jm00073a011 BindingDB Entry DOI: 10.7270/Q24F1NXP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM590 ((2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was tested in vitro for its inhibitory activity against HIV-1 Proteinase activity | Bioorg Med Chem Lett 3: 503-508 (1993) Article DOI: 10.1016/S0960-894X(01)81216-6 BindingDB Entry DOI: 10.7270/Q2GH9HXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM590 ((2R,4S)-2-[(R)-(ethylcarbamoyl)(1-phenylacetamido)...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Limited Curated by ChEMBL | Assay Description Inhibitory activity towards HIV-1 protease | J Med Chem 35: 3080-1 (1992) BindingDB Entry DOI: 10.7270/Q27H1HJQ | |||||||||||
More data for this Ligand-Target Pair |