BDBM50109150 CHEMBL3601544
SMILES: Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
InChI Key: InChIKey=MELLLIWJFNLRKQ-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 12 (Homo sapiens (Human)) | BDBM50109150 (CHEMBL3601544) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50109150 (CHEMBL3601544) | 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 | 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50109150 (CHEMBL3601544) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50109150 (CHEMBL3601544) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 23: 5619-25 (2015) BindingDB Entry DOI: 10.7270/Q21J9CK1 | |||||||||||
More data for this Ligand-Target Pair |