Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50544908'   

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 2 (Homo sapiens (Human))	BDBM50544908 (CHEMBL4633493) Show SMILES CC1=C(C(NC(=S)N1)c1ccccc1)C(=O)OCC=C |t:1| Show InChI InChI=1S/C15H16N2O2S/c1-3-9-19-14(18)12-10(2)16-15(20)17-13(12)11-7-5-4-6-8-11/h3-8,13H,1,9H2,2H3,(H2,16,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50544908 (CHEMBL4633493) Show SMILES CC1=C(C(NC(=S)N1)c1ccccc1)C(=O)OCC=C |t:1| Show InChI InChI=1S/C15H16N2O2S/c1-3-9-19-14(18)12-10(2)16-15(20)17-13(12)11-7-5-4-6-8-11/h3-8,13H,1,9H2,2H3,(H2,16,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 using p-nitrophenylacetate as substrate measured at 3 mins interval by spectrophotometric method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115329 BindingDB Entry DOI: 10.7270/Q2057KHR
					More data for this Ligand-Target Pair