Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50109156'   

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))	BDBM50109156 (CHEMBL3601539) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)16-3-1-15(2-4-16)19-9-10-27-20(29-19)30-11-13-31(14-12-30)21(32)28-17-5-7-18(8-6-17)35-36(26,33)34/h1-10H,11-14H2,(H,28,32)(H2,26,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
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