BDBM45838 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid::MLS-0091994.0001::cid_4598704
SMILES: Cc1ccc(cc1C)-c1cc([nH]n1)C(O)=O
InChI Key: InChIKey=KLZBOPQBGJBTRD-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 9 (Homo sapiens (Human)) | BDBM45838![]() (3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Belgrade Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem 23: 4649-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.052 BindingDB Entry DOI: 10.7270/Q2X068SW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM45838![]() (3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Belgrade Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem 23: 4649-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.052 BindingDB Entry DOI: 10.7270/Q2X068SW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM45838![]() (3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Belgrade Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem 23: 4649-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.052 BindingDB Entry DOI: 10.7270/Q2X068SW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM45838![]() (3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Belgrade Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem 23: 4649-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.052 BindingDB Entry DOI: 10.7270/Q2X068SW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human)) | BDBM45838![]() (3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 6.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG | |||||||||||
More data for this Ligand-Target Pair |