BDBM50263419 4-(2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)hydrazinyl)benzenesulfonamide::4-{N'-[2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-acetyl]-hydrazino}-benzenesulfonamide::CHEMBL478669
SMILES: COc1ccc2c(CC(=O)NNc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1
InChI Key: InChIKey=NQHHVWHZFBPDRH-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 2 (Homo sapiens (Human)) | BDBM50263419 (4-(2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method | Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50263419 (4-(2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method | Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50263419 (4-(2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)hy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method | Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50263419 (4-(2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)hy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method | Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM | |||||||||||
More data for this Ligand-Target Pair |