BDBM50087414 2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-2-(2-trifluoromethyl-benzyl)-malonic acid diethyl ester::CHEMBL286566
SMILES: CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC
InChI Key: InChIKey=JCFLAQSWFIJKIG-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AMP deaminase 3 (hAMPD3) (Homo sapiens (Human)) | BDBM50087414 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA | J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine deaminase (Bos taurus (bovine)) | BDBM50087414 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA) | J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0 | |||||||||||
More data for this Ligand-Target Pair |