Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50171029'   

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))	BDBM50171029 (CHEMBL180675 | Thioureido sulfonamide) Show SMILES NCCCN1CCN(CCCNNC(=S)NCCc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C19H35N7O2S2/c20-8-1-11-25-13-15-26(16-14-25)12-2-9-23-24-19(29)22-10-7-17-3-5-18(6-4-17)30(21,27)28/h3-6,23H,1-2,7-16,20H2,(H2,21,27,28)(H2,22,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	313	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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