null
SMILES: Cn1nc(sc1=N)S(N)(=O)=O
InChI Key: InChIKey=BWSMJWLWXNCHHP-UHFFFAOYSA-N
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 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | 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 Ki value against human carbonic anhydrase I | Bioorg Med Chem Lett 15: 971-6 (2005) Article DOI: 10.1016/j.bmcl.2004.12.052 BindingDB Entry DOI: 10.7270/Q25H7H1N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kochi Medical School Curated by ChEMBL | Assay Description Inhibition of human recombinant cytosolic isozyme CA I by stopped-flow CO2 hydrase method | J Med Chem 50: 381-8 (2007) Article DOI: 10.1021/jm0612057 BindingDB Entry DOI: 10.7270/Q29G5NNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | 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 human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay | J Med Chem 56: 1761-71 (2013) Article DOI: 10.1021/jm4000616 BindingDB Entry DOI: 10.7270/Q2CF9RFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MC-98000 Princ Curated by ChEMBL | Assay Description Inhibition of human recombinant CA1 by stopped-flow CO2 assay | Bioorg Med Chem 17: 5054-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.063 BindingDB Entry DOI: 10.7270/Q2FJ2HQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Balikesir University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay | Bioorg Med Chem 17: 1158-63 (2009) Article DOI: 10.1016/j.bmc.2008.12.035 BindingDB Entry DOI: 10.7270/Q2FB53WW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Bioscienze e Biorisorse Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure... | Bioorg Med Chem Lett 27: 490-495 (2017) Article DOI: 10.1016/j.bmcl.2016.12.035 BindingDB Entry DOI: 10.7270/Q2PN97XS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Bioscienze e Biorisorse, CNR, Via Pietro Castellino 111, Napoli, Italy; Università degliStudi di Firenze, Dipartimento Di Chimica, Laboratorio di Chimica Bioinorganica, Polo Scientifico, Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ... | Bioorg Med Chem 25: 3555-3561 (2017) Article DOI: 10.1016/j.bmc.2017.05.007 BindingDB Entry DOI: 10.7270/Q20Z75PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
A.P.S. University Curated by ChEMBL | Assay Description Inhibition of human CA1 | Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR Curated by ChEMBL | Assay Description Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay | Bioorg Med Chem Lett 26: 4184-90 (2016) Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR Curated by ChEMBL | Assay Description Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay | Bioorg Med Chem Lett 26: 4184-90 (2016) Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 1.27E+4 | -6.57 | n/a | n/a | n/a | n/a | n/a | 8.3 | 20 |
Kochi Medical School | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | J Med Chem 52: 2226-32 (2009) Article DOI: 10.1021/jm9000488 BindingDB Entry DOI: 10.7270/Q24Q7SBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 3 (Homo sapiens (Human)) | BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kochi Medical School Curated by ChEMBL | Assay Description Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay | Bioorg Med Chem 15: 7229-36 (2007) Article DOI: 10.1016/j.bmc.2007.08.037 BindingDB Entry DOI: 10.7270/Q2TH8NJ9 | |||||||||||
More data for this Ligand-Target Pair |
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