BDBM50090222 CHEMBL39086::MD805 Analogue
SMILES: CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1
InChI Key: InChIKey=QAQMESYTRBVRBT-UHFFFAOYSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50090222 (CHEMBL39086 | MD805 Analogue) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity against Thrombin | Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50090222 (CHEMBL39086 | MD805 Analogue) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity against Thrombin | Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsin (Homo sapiens (Human)) | BDBM50090222 (CHEMBL39086 | MD805 Analogue) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity against Serine protease chymotrypsin | Bioorg Med Chem Lett 10: 1563-6 (2000) BindingDB Entry DOI: 10.7270/Q2VX0H1B | |||||||||||
More data for this Ligand-Target Pair |