BDBM50091037 1-[5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid::CHEMBL177078
SMILES: C[C@@H]1CCN(C(C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
InChI Key: InChIKey=KXNPVXPOPUZYGB-JOKDJRIQSA-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 (Bos taurus (Bovine)) | BDBM50091037 (1-[5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4-tet...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma KG Curated by ChEMBL | Assay Description Inhibitory Activity against bovine alpha-thrombin | J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine protease 1 (Homo sapiens (Human)) | BDBM50091037 (1-[5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4-tet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma KG Curated by ChEMBL | Assay Description Inhibitory Activity against Trypsin | J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50091037 (1-[5-(Diaminomethyl-amino)-2-(3-methyl-1,2,3,4-tet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma KG Curated by ChEMBL | Assay Description Inhibitory Activity against Coagulation factor X | J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N | |||||||||||
More data for this Ligand-Target Pair |