BDBM50382703 CHEMBL2023164
SMILES: CN1CCN(CC1)NC([S-])=S
InChI Key: InChIKey=BFGJSMAQQPSMEH-UHFFFAOYSA-M
Data: 6 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 |
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Carbonic anhydrase 1 (Drosophila melanogaster) | BDBM50382703 (CHEMBL2023164) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra... | Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2, isoform A (Drosophila melanogaster) | BDBM50382703 (CHEMBL2023164) | Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra... | Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50382703 (CHEMBL2023164) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 1721-30 (2012) Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50382703 (CHEMBL2023164) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 1721-30 (2012) Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50382703 (CHEMBL2023164) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 1721-30 (2012) Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50382703 (CHEMBL2023164) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method | J Med Chem 55: 1721-30 (2012) Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC | |||||||||||
More data for this Ligand-Target Pair |