BDBM50092601 CHEMBL3586215
SMILES: CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCCCC1
InChI Key: InChIKey=HCXBZZHMVMFRNH-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)) | BDBM50092601 (CHEMBL3586215) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay | Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50092601 (CHEMBL3586215) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay | Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50092601 (CHEMBL3586215) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay | Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50092601 (CHEMBL3586215) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay | Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK | |||||||||||
More data for this Ligand-Target Pair |