BDBM50125569 CHEMBL3623631
SMILES: CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=XELJYZITRZHXDU-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)) | BDBM50125569 (CHEMBL3623631) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe... | Bioorg Med Chem 23: 6573-80 (2015) BindingDB Entry DOI: 10.7270/Q21Z4668 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50125569 (CHEMBL3623631) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase... | Bioorg Med Chem 23: 6573-80 (2015) BindingDB Entry DOI: 10.7270/Q21Z4668 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50125569 (CHEMBL3623631) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped... | Bioorg Med Chem 23: 6573-80 (2015) BindingDB Entry DOI: 10.7270/Q21Z4668 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50125569 (CHEMBL3623631) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase... | Bioorg Med Chem 23: 6573-80 (2015) BindingDB Entry DOI: 10.7270/Q21Z4668 | |||||||||||
More data for this Ligand-Target Pair |