BDBM95979 2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one::2-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one::2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one::MLS001151191::SMR000688831::cid_8272034
SMILES: Clc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1
InChI Key: InChIKey=OQIFMQRJXNAZAE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM95979 (2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem 24: 1095-105 (2016) BindingDB Entry DOI: 10.7270/Q27S7QNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM95979 (2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem 24: 1095-105 (2016) BindingDB Entry DOI: 10.7270/Q27S7QNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM95979 (2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem 24: 1095-105 (2016) BindingDB Entry DOI: 10.7270/Q27S7QNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM95979 (2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay | Bioorg Med Chem 24: 1095-105 (2016) BindingDB Entry DOI: 10.7270/Q27S7QNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens] (Homo sapiens (Human)) | BDBM95979 (2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.14E+3 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2P55M4P | ||||||||||||
More data for this Ligand-Target Pair |