BDBM50207842 CHEMBL3939285
SMILES: COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
InChI Key: InChIKey=KANPJHQYVREHNP-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 anhydrase 9 (Homo sapiens (Human)) | BDBM50207842 (CHEMBL3939285) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Riga Technical University Curated by ChEMBL | Assay Description Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd... | Bioorg Med Chem 25: 857-863 (2017) Article DOI: 10.1016/j.bmc.2016.11.045 BindingDB Entry DOI: 10.7270/Q2M61N7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50207842 (CHEMBL3939285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Riga Technical University Curated by ChEMBL | Assay Description Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy... | Bioorg Med Chem 25: 857-863 (2017) Article DOI: 10.1016/j.bmc.2016.11.045 BindingDB Entry DOI: 10.7270/Q2M61N7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50207842 (CHEMBL3939285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Riga Technical University Curated by ChEMBL | Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 857-863 (2017) Article DOI: 10.1016/j.bmc.2016.11.045 BindingDB Entry DOI: 10.7270/Q2M61N7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50207842 (CHEMBL3939285) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Riga Technical University Curated by ChEMBL | Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 857-863 (2017) Article DOI: 10.1016/j.bmc.2016.11.045 BindingDB Entry DOI: 10.7270/Q2M61N7N | |||||||||||
More data for this Ligand-Target Pair |