Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50381325'   

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))	BDBM50381325 (CHEMBL2019140) Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50381325 (CHEMBL2019140) Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 22: 3063-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.071 BindingDB Entry DOI: 10.7270/Q2J1045T
					More data for this Ligand-Target Pair