Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50205565'   

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 4 (Homo sapiens (Human))	BDBM50205565 (CHEMBL3890627) Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1 |c:6,11| Show InChI InChI=1S/C24H26N4O3/c1-23(2)9-15(29)20-17(11-23)31-18-12-24(3,4)10-16(30)21(18)19(20)13-5-7-14(8-6-13)22-25-27-28-26-22/h5-8,19H,9-12H2,1-4H3,(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
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