Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50080147'   

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))	BDBM50080147 (CHEMBL3416247) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccc(Cl)cc1 |c:29| Show InChI InChI=1S/C25H16ClN3O5S/c26-17-7-5-15(6-8-17)24-28-21(13-16-14-34-22-4-2-1-3-20(22)23(16)30)25(31)29(24)18-9-11-19(12-10-18)35(27,32)33/h1-14H,(H2,27,32,33)/b21-13-	PDB MMDB NCI pathway 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
Cairo University Curated by ChEMBL					Assay Description Inhibition of human cytosolic form of carbonic anhydrase-1 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow ...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
					More data for this Ligand-Target Pair