BDBM50087051 CHEMBL3426533
SMILES: Cc1ccc(cc1)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1
InChI Key: InChIKey=GMKXKWVLFJXVNA-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)) | BDBM50087051 (CHEMBL3426533) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay | J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50087051 (CHEMBL3426533) | 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 | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay | J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50087051 (CHEMBL3426533) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay | J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50087051 (CHEMBL3426533) | 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 | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay | J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG | |||||||||||
More data for this Ligand-Target Pair |