Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50098366'   

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))	BDBM50098366 (CHEMBL3594406) Show SMILES Nc1nc(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)nc2[nH]ncc12 Show InChI InChI=1S/C14H12N8O3S3/c15-11-7-4-17-22-12(7)21-13(20-11)26-5-10(23)19-14-18-8-2-1-6(28(16,24)25)3-9(8)27-14/h1-4H,5H2,(H2,16,24,25)(H,18,19,23)(H3,15,17,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	182	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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