Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50544883'   

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 1 (Homo sapiens (Human))	BDBM50544883 (CHEMBL4644030) Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C(F)(F)F)n2)cc1 Show InChI InChI=1S/C19H15F3N4O3S2/c20-19(21,22)13-3-1-12(2-4-13)16(27)11-30-18-24-10-9-17(26-18)25-14-5-7-15(8-6-14)31(23,28)29/h1-10H,11H2,(H2,23,28,29)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 ...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115329 BindingDB Entry DOI: 10.7270/Q2057KHR
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