BDBM50230193 CHEMBL4097542
SMILES: C[S+]([O-])c1ccc(\C=C2\C(C)=C(CC(=O)NCCOc3ccc4oc(=O)ccc4c3)c3cc(F)ccc23)cc1
InChI Key: InChIKey=XOKLEXHVYHSJAW-YSMPRRRNSA-N
Data: 6 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 4 (Homo sapiens (Human)) | BDBM50230193 (CHEMBL4097542) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay | J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50230193 (CHEMBL4097542) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay | J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50230193 (CHEMBL4097542) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human CA12 preincubated for 15 mins by stopped-flow CO2 hydration assay | J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50230193 (CHEMBL4097542) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by stopped-flow CO2 hydration assay | J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50230193 (CHEMBL4097542) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by stopped-flow CO2 hydration assay | J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50230193 (CHEMBL4097542) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of recombinant human CA1 preincubated for 15 mins by stopped-flow CO2 hydration assay | J Med Chem 60: 1159-1170 (2017) BindingDB Entry DOI: 10.7270/Q2PC34NX | |||||||||||
More data for this Ligand-Target Pair |