BDBM50545792 CHEMBL4639819
SMILES: [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)Cc1ccccc1
InChI Key: InChIKey=WVKJHIVGBANALA-DMVQEWIISA-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 |
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Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50545792![]() (CHEMBL4639819) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PubMed | 0.0740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School Curated by ChEMBL | Assay Description Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage ... | J Med Chem 63: 8296-8313 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50545792![]() (CHEMBL4639819) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PubMed | 0.295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School Curated by ChEMBL | Assay Description Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing p... | J Med Chem 63: 8296-8313 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50545792![]() (CHEMBL4639819) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PubMed | 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School Curated by ChEMBL | Assay Description Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protea... | J Med Chem 63: 8296-8313 (2020) | |||||||||||
More data for this Ligand-Target Pair |