BDBM50379838 CHEMBL2011750
SMILES: NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1
InChI Key: InChIKey=YGBZFHXWPPQSHR-UHFFFAOYSA-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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Kallikrein-1 (KLK1) (Homo sapiens (Human)) | BDBM50379838 (CHEMBL2011750) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human kallikrein 1 | Bioorg Med Chem Lett 22: 2450-5 (2012) Article DOI: 10.1016/j.bmcl.2012.02.014 BindingDB Entry DOI: 10.7270/Q21G0N9N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50379838 (CHEMBL2011750) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of amidase activity of bovine thrombin using BPVANA as substrate after 15 to 40 mins | J Med Chem 19: 634-9 (1976) BindingDB Entry DOI: 10.7270/Q2KD20FM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acrosin (Sus scrofa) | BDBM50379838 (CHEMBL2011750) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis | J Med Chem 21: 1132-6 (1979) BindingDB Entry DOI: 10.7270/Q2TT4SGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glandular kallikrein (Sus scrofa) | BDBM50379838 (CHEMBL2011750) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of porcine pancreatic kallikrein using BPPANA as substrate after 15 to 180 mins | J Med Chem 19: 634-9 (1976) BindingDB Entry DOI: 10.7270/Q2KD20FM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50379838 (CHEMBL2011750) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen | J Med Chem 19: 634-9 (1976) BindingDB Entry DOI: 10.7270/Q2KD20FM | |||||||||||
More data for this Ligand-Target Pair |