BDBM50171181 CHEMBL3806081
SMILES: COc1ccc(cc1)-c1nn(cc1\C=N/Nc1nc(cs1)-c1cc2cc(Br)ccc2oc1=O)-c1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=UUCGFRNSTWGDKJ-LPEPFOFCSA-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)) | BDBM50171181 (CHEMBL3806081) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 17 | 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 human carbonic anhydrase 2 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay | Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50171181 (CHEMBL3806081) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 20 | 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 human carbonic anhydrase 9 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay | Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50171181 (CHEMBL3806081) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 38 | 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 human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay | Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50171181 (CHEMBL3806081) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 273 | 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 human carbonic anhydrase 1 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay | Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P | |||||||||||
More data for this Ligand-Target Pair |