BDBM50147762 CHEMBL3765033
SMILES: NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(I)cccc2c1=O
InChI Key: InChIKey=HRPSKYKWKISKFI-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 12 (Homo sapiens (Human)) | BDBM50147762 (CHEMBL3765033) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS 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: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50147762 (CHEMBL3765033) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS 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: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50147762 (CHEMBL3765033) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS 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: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50147762 (CHEMBL3765033) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS 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: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2 | |||||||||||
More data for this Ligand-Target Pair |