Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50125585'   

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))	BDBM50125585 (CHEMBL3623676) Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CNc2ccccc2)nn1 Show InChI InChI=1S/C19H16N4O2/c1-13-9-19(24)25-18-10-16(7-8-17(13)18)23-12-15(21-22-23)11-20-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	247	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 carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay				Bioorg Med Chem 23: 6955-66 (2015) Article DOI: 10.1016/j.bmc.2015.09.041 BindingDB Entry DOI: 10.7270/Q2X63PRB
					More data for this Ligand-Target Pair