BDBM50093562 CHEMBL3585750
SMILES: CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N1CCN(C)CC1
InChI Key: InChIKey=CYHQRHAWKLTJOW-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 9 (Homo sapiens (Human)) | BDBM50093562 (CHEMBL3585750) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method | Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50093562 (CHEMBL3585750) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method | Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50093562 (CHEMBL3585750) | 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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method | Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50093562 (CHEMBL3585750) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method | Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF | |||||||||||
More data for this Ligand-Target Pair |