Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50525468'   

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))	BDBM50525468 (CHEMBL4463022) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OS(=O)(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO3S/c1-17(2)21-15-14-18(3)16-22(21)27-28(25,26)24-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-24H,14-16H2,1-3H3/t18-,21+,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 using p-nitrophenylacetate as substrate after 3 mins				Eur J Med Chem 179: 257-271 (2019) Article DOI: 10.1016/j.ejmech.2019.06.052 BindingDB Entry DOI: 10.7270/Q2B27ZQ2
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