Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50098354'   

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))	BDBM50098354 (CHEMBL3594418) Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(NC(=S)Nc2ccccc2)c1C#N Show InChI InChI=1S/C21H18N8O3S4/c1-34-19-14(10-22)18(27-20(33)24-12-5-3-2-4-6-12)29(28-19)11-17(30)26-21-25-15-8-7-13(36(23,31)32)9-16(15)35-21/h2-9H,11H2,1H3,(H2,23,31,32)(H2,24,27,33)(H,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
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