BDBM50011242 CHEMBL3260339
SMILES: COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(Br)ccc(Cl)c3F)c3cc-2ccn3)c1
InChI Key: InChIKey=NFRBICAIEMTSJZ-QUGAMOGWSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor XI (Homo sapiens (Human)) | BDBM50011242 (CHEMBL3260339) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL | Assay Description Inhibition of human coagulation factor 11a after 20 to 180 mins | ACS Med Chem Lett 5: 286-7 (2014) Article DOI: 10.1021/ml500084u BindingDB Entry DOI: 10.7270/Q2J67JFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM50011242 (CHEMBL3260339) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL | Assay Description Inhibition of human plasma kallikrein using S-2302 as substrate at 25 degC after 20 to 180 mins | ACS Med Chem Lett 5: 286-7 (2014) Article DOI: 10.1021/ml500084u BindingDB Entry DOI: 10.7270/Q2J67JFR | |||||||||||
More data for this Ligand-Target Pair |