Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50129949'   

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))	BDBM50129949 (CHEMBL3627999) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C23H23NO4S/c1-18-12-14-21(15-13-18)29(26,27)24-22(16-19-8-4-2-5-9-19)23(25)28-17-20-10-6-3-7-11-20/h2-15,22,24H,16-17H2,1H3/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gebze Technical University Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...				Bioorg Med Chem 23: 7353-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.009 BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
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