BDBM36130 CHEMBL181124::sodium hexafluorophosphate
SMILES: F[P-](F)(F)(F)(F)F
InChI Key: InChIKey=LJQLCJWAZJINEB-UHFFFAOYSA-N
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 |
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Carbonic anhydrase (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...) | BDBM36130 (CHEMBL181124 | sodium hexafluorophosphate) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | PubMed | 9.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 8.3 | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for... | Bioorg Med Chem 23: 4831-8 (2015) BindingDB Entry DOI: 10.7270/Q20V8FK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM36130 (CHEMBL181124 | sodium hexafluorophosphate) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 8.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibitory constant against human isozymes carbonic anhydrase IX for the CO2 hydration reaction at 20 C | Bioorg Med Chem Lett 15: 1909-13 (2005) Article DOI: 10.1016/j.bmcl.2005.01.082 BindingDB Entry DOI: 10.7270/Q2CR5SWP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM36130 (CHEMBL181124 | sodium hexafluorophosphate) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 1.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibitory constant against human isozyme carbonic anhydrase I for the CO2 hydration reaction at 20 degree C | Bioorg Med Chem Lett 15: 1909-13 (2005) Article DOI: 10.1016/j.bmcl.2005.01.082 BindingDB Entry DOI: 10.7270/Q2CR5SWP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM36130 (CHEMBL181124 | sodium hexafluorophosphate) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 1.75E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibitory constant against human isozymes carbonic anhydrase II for the CO2 hydration reaction at 20 C | Bioorg Med Chem Lett 15: 1909-13 (2005) Article DOI: 10.1016/j.bmcl.2005.01.082 BindingDB Entry DOI: 10.7270/Q2CR5SWP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM36130 (CHEMBL181124 | sodium hexafluorophosphate) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 1.91E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibitory constant against human isozymes carbonic anhydrase IV for the CO2 hydration reaction at 20 degree C | Bioorg Med Chem Lett 15: 1909-13 (2005) Article DOI: 10.1016/j.bmcl.2005.01.082 BindingDB Entry DOI: 10.7270/Q2CR5SWP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM36130 (CHEMBL181124 | sodium hexafluorophosphate) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | >3.00E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibitory constant against human isozymes carbonic anhydrase V for the CO2 hydration reaction at 20 C | Bioorg Med Chem Lett 15: 1909-13 (2005) Article DOI: 10.1016/j.bmcl.2005.01.082 BindingDB Entry DOI: 10.7270/Q2CR5SWP | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
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BDBM36127 | BDBM36130 | CHEBI PC cid PC sid | PC cid PC sid | -2.95 | 2.05 | -4.99 | 2.16 | 6.90 | 25 | |
Japan Science and Technology Agency | J Am Chem Soc 124: 813-26 (2002) | |||||||||
BDBM11 | BDBM36130 | CHEBI KEGG MMDB PC cid PC sid PDB | PC cid PC sid | -2.74 | 2.77 | -5.52 | 2.01 | 6.90 | 25 | |
Japan Science and Technology Agency | J Am Chem Soc 124: 813-26 (2002) |