Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50171190'   

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))	BDBM50171190 (CHEMBL3804902) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3ccccc3oc2=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H19FN6O4S2/c29-20-7-5-17(6-8-20)26-19(15-35(34-26)21-9-11-22(12-10-21)41(30,37)38)14-31-33-28-32-24(16-40-28)23-13-18-3-1-2-4-25(18)39-27(23)36/h1-16H,(H,32,33)(H2,30,37,38)/b31-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) Article DOI: 10.1016/j.bmc.2016.04.052 BindingDB Entry DOI: 10.7270/Q2F47R2P
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