BDBM50253216 CHEMBL4104994
SMILES: NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccc3OCOc3c2)cc1
InChI Key: InChIKey=OGDYECJROKYFGR-UHFFFAOYSA-N
Data: 4 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 anhydrases; II & IX (Homo sapiens (Human)) | BDBM50253216 (CHEMBL4104994) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure... | Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50253216 (CHEMBL4104994) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 402 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure... | Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50253216 (CHEMBL4104994) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure... | Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50253216 (CHEMBL4104994) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure... | Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N | |||||||||||
More data for this Ligand-Target Pair |