Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50207549'   

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))	BDBM50207549 (CHEMBL3928695) Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C24H18N2O4/c1-15-13-22(27)30-21-14-17(11-12-18(15)21)25-24(29)19-9-5-6-10-20(19)26-23(28)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,29)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 677-683 (2017) Article DOI: 10.1016/j.bmc.2016.11.039 BindingDB Entry DOI: 10.7270/Q2N29ZZR
					More data for this Ligand-Target Pair