BDBM50535390 CHEMBL4558023
SMILES: [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
InChI Key: InChIKey=BXQIFAPJLYJUNY-UHFFFAOYSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50535390 (CHEMBL4558023) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay | ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50535390 (CHEMBL4558023) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay | ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50535390 (CHEMBL4558023) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay | ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50535390 (CHEMBL4558023) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay | ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50535390 (CHEMBL4558023) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 5.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay | ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 | |||||||||||
More data for this Ligand-Target Pair |