Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50341404'   

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))	BDBM50341404 (CHEMBL4169089) Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1 Show InChI InChI=1S/C15H17N3O3S/c1-15(2)7-13-12(14(19)8-15)9-17-18(13)10-3-5-11(6-4-10)22(16,20)21/h3-6,9H,7-8H2,1-2H3,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.880	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))	BDBM50341404 (CHEMBL4169089) Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1 Show InChI InChI=1S/C15H17N3O3S/c1-15(2)7-13-12(14(19)8-15)9-17-18(13)10-3-5-11(6-4-10)22(16,20)21/h3-6,9H,7-8H2,1-2H3,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.880	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