BDBM50136614 CHEMBL3753020
SMILES: Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nnn[nH]2)c1)-n1cnnn1
InChI Key: InChIKey=YGQQLNQKNAXOKN-SYZXBLONSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor XI (Homo sapiens (Human)) | BDBM50136614 (CHEMBL3753020) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... | Bioorg Med Chem Lett 26: 472-8 (2016) BindingDB Entry DOI: 10.7270/Q27H1MFM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM50136614 (CHEMBL3753020) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PubMed | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human plasma kallikrein | Bioorg Med Chem Lett 26: 472-8 (2016) BindingDB Entry DOI: 10.7270/Q27H1MFM | |||||||||||
More data for this Ligand-Target Pair |