BDBM50116439 CHEMBL3604413
SMILES: OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI Key: InChIKey=KRFQGGOFGORXRN-NTISSMGPSA-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)) | BDBM50116439 (CHEMBL3604413) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50116439 (CHEMBL3604413) | 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 | 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50116439 (CHEMBL3604413) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 277 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50116439 (CHEMBL3604413) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 507 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 23: 5311-8 (2015) BindingDB Entry DOI: 10.7270/Q2D50PQR | |||||||||||
More data for this Ligand-Target Pair |