BDBM224004 N-{(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-yl]-1-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}-4,7,10,13,16-pentaoxanonadec-18-ynamide (11)
SMILES: NS(=O)(=O)c1nnc(NC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)s1
InChI Key: InChIKey=SDCXVVMDBIAMIM-LJAQVGFWSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM224004 (N-{(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 139 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Griffith University | Assay Description The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at... | Chembiochem 18: 739-754 (2017) Article DOI: 10.1002/cbic.201600598 BindingDB Entry DOI: 10.7270/Q2CZ361R | |||||||||||
More data for this Ligand-Target Pair |