BDBM50399077 CHEMBL2179306
SMILES: NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(ccc3-c12)C(F)(F)F
InChI Key: InChIKey=UIWAHXLXRURYJZ-UHFFFAOYSA-N
Data: 15 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 2 (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (Mycobacterium tuberculosis) | BDBM50399077 (CHEMBL2179306) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 238 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | 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 | 318 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA5A pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
β-Carbonic anhydrase 2 (CA 2) (Mycobacterium tuberculosis) | BDBM50399077 (CHEMBL2179306) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 357 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 548 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant CA14 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis) | BDBM50399077 (CHEMBL2179306) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 613 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 628 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA7 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 714 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant CA13 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | 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 | 2.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant CA9 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA5B pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant CA12 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA4 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA6 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM50399077 (CHEMBL2179306) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G | |||||||||||
More data for this Ligand-Target Pair |