BDBM50174528 CHEMBL3613534
SMILES: Clc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
InChI Key: InChIKey=AYJWEYGACPJTGR-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 9 (Homo sapiens (Human)) | BDBM50174528 (CHEMBL3613534) | 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 | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay | Bioorg Med Chem 24: 2907-2913 (2016) BindingDB Entry DOI: 10.7270/Q2Q81FZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50174528 (CHEMBL3613534) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay | Bioorg Med Chem 24: 2907-2913 (2016) BindingDB Entry DOI: 10.7270/Q2Q81FZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50174528 (CHEMBL3613534) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay | Bioorg Med Chem 24: 2907-2913 (2016) BindingDB Entry DOI: 10.7270/Q2Q81FZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50174528 (CHEMBL3613534) | 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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay | Bioorg Med Chem 24: 2907-2913 (2016) BindingDB Entry DOI: 10.7270/Q2Q81FZ6 | |||||||||||
More data for this Ligand-Target Pair |