Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50022094'   

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))	BDBM50022094 (CHEMBL3298348) Show SMILES CCOC(=O)Cc1nc2c3c(cn(-c4ccc(cc4)S(N)(=O)=O)c3ncn2n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C23H19BrN6O4S/c1-2-34-20(31)11-19-27-23-21-18(14-3-5-15(24)6-4-14)12-29(22(21)26-13-30(23)28-19)16-7-9-17(10-8-16)35(25,32)33/h3-10,12-13H,2,11H2,1H3,(H2,25,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 22: 3684-95 (2014) Article DOI: 10.1016/j.bmc.2014.05.009 BindingDB Entry DOI: 10.7270/Q2N87CBZ
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