BDBM50087042 CHEMBL3426542
SMILES: O=S1(=O)Oc2ccc(cc2C=C1)C#N
InChI Key: InChIKey=DRNUHNOZFFNRAW-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)) | BDBM50087042 (CHEMBL3426542) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 27 | 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)) | BDBM50087042 (CHEMBL3426542) | 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 | 34 | 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)) | BDBM50087042 (CHEMBL3426542) | 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)) | BDBM50087042 (CHEMBL3426542) | 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 |