Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50125408'   

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))	BDBM50125408 (CHEMBL3623644) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-6-5-7-23(16-21)38-47(44,45)26-12-8-22(36)9-13-26)33-28(18-35(3,4)20-30(33)41)39(27)24-10-14-25(15-11-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.38E+3	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 recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
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