Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50174518'   

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))	BDBM50174518 (CHEMBL3809038) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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 recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
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