Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50068120'   

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))	BDBM50068120 (CHEMBL3402253) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@@H]1[C@H](C(O)=O)[C@@]2(Cl)[C@@](O)(Cl)[C@](O)(Cl)[C@@]1(Cl)C2(Cl)Cl |r,TLB:15:14:20.23:28,21:20:28:13.14,THB:11:13:20.23:28,24:23:28:13.14| Show InChI InChI=1S/C16H13Cl6NO7S/c1-6-2-4-7(5-3-6)31(29,30)23-10(24)8-9(11(25)26)13(18)14(19,20)12(8,17)15(21,27)16(13,22)28/h2-5,8-9,27-28H,1H3,(H,23,24)(H,25,26)/t8-,9+,12-,13-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA-2 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 23: 2598-605 (2015) Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50068120 (CHEMBL3402253) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@@H]1[C@H](C(O)=O)[C@@]2(Cl)[C@@](O)(Cl)[C@](O)(Cl)[C@@]1(Cl)C2(Cl)Cl |r,TLB:15:14:20.23:28,21:20:28:13.14,THB:11:13:20.23:28,24:23:28:13.14| Show InChI InChI=1S/C16H13Cl6NO7S/c1-6-2-4-7(5-3-6)31(29,30)23-10(24)8-9(11(25)26)13(18)14(19,20)12(8,17)15(21,27)16(13,22)28/h2-5,8-9,27-28H,1H3,(H,23,24)(H,25,26)/t8-,9+,12-,13-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA-2 using p-nitro-phenylacetate as substrate after 3 mins by UV-Vis spectrophotometry				Bioorg Med Chem 23: 2598-605 (2015) Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q
					More data for this Ligand-Target Pair