Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50093563'   

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))	BDBM50093563 (CHEMBL3585749) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(N)(=O)=O Show InChI InChI=1S/C20H20N6O3S/c1-4-29-17-10-9-15(30(21,27)28)11-16(17)19-22-18-13(3)25-26(20(18)24-23-19)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H2,21,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
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