BDBM50329585 CHEMBL1270939::N3-[2-(Dimethylamino)ethyl]-1-[4-(aminosulfonyl)phenyl]-2-methyl-5-(4-biphenylyl)-1H-3 pyrrolecarboxamide
SMILES: CN(C)CCNC(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=AZGMUHIQNYBMER-UHFFFAOYSA-N
Data: 3 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)) | BDBM50329585 (CHEMBL1270939 | N3-[2-(Dimethylamino)ethyl]-1-[4-(...) | 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 | 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay | Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50329585 (CHEMBL1270939 | N3-[2-(Dimethylamino)ethyl]-1-[4-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 475 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay | Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50329585 (CHEMBL1270939 | N3-[2-(Dimethylamino)ethyl]-1-[4-(...) | 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 | 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay | Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ | |||||||||||
More data for this Ligand-Target Pair |