Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50544890'   

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))	BDBM50544890 (CHEMBL4648386) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)S(=O)(=O)Nc2cncs2)n1 Show InChI InChI=1S/C22H16F3N5O3S3/c23-22(24,25)15-3-1-14(2-4-15)18(31)12-34-21-27-10-9-19(29-21)28-16-5-7-17(8-6-16)36(32,33)30-20-11-26-13-35-20/h1-11,13,30H,12H2,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.45E+4	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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