BDBM50261597 CHEMBL4100843
SMILES: COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(F)c1
InChI Key: InChIKey=IJVHRUXFLFGTDS-YCRREMRBSA-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 2 (Homo sapiens (Human)) | BDBM50261597 (CHEMBL4100843) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50261597 (CHEMBL4100843) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50261597 (CHEMBL4100843) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50261597 (CHEMBL4100843) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 384 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-1 preincubated for 10 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC | |||||||||||
More data for this Ligand-Target Pair |