BDBM50071563 4-(2-{6-amino-2-[7-(3,4-dichlorobenzyl)-13,13-dimethyl-6,8-dioxo-5,7,9-triazatetracyclo[10.1.1.02,10.05,9]tetradec-2-en-4-ylcarboxamido]hexanoylcarboxamido}ethyl)benzamide::CHEMBL74851
SMILES: CC1(C)C2CC1C1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n3n(C1C2)c(=O)n(Cc1ccc(Cl)c(Cl)c1)c3=O
InChI Key: InChIKey=ILRFKTQQVCIDGH-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kallikrein-1 (KLK1) (Homo sapiens (Human)) | BDBM50071563 (4-(2-{6-amino-2-[7-(3,4-dichlorobenzyl)-13,13-dime...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity against Kallikrein | Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV | |||||||||||
More data for this Ligand-Target Pair |