Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50171012'   

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))	BDBM50171012 (CHEMBL180506 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...) Show SMILES NC(Cc1ccccc1)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O3S2/c19-16(12-14-4-2-1-3-5-14)17(23)22-18(26)21-11-10-13-6-8-15(9-7-13)27(20,24)25/h1-9,16H,10-12,19H2,(H2,20,24,25)(H2,21,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
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