Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50341397'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50341397 (CHEMBL4176953) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2c1CCCC2=O Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)10-6-4-9(5-7-10)16-12-2-1-3-13(17)11(12)8-15-16/h4-8H,1-3H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113490 BindingDB Entry DOI: 10.7270/Q2SX6J0Z
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50341397 (CHEMBL4176953) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2c1CCCC2=O Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)10-6-4-9(5-7-10)16-12-2-1-3-13(17)11(12)8-15-16/h4-8H,1-3H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
					More data for this Ligand-Target Pair