Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50068115'   

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))	BDBM50068115 (CHEMBL3402248) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C1[C@H](C(=O)OCc2ccccc2)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl |r,t:30,TLB:15:14:27.29:33,THB:11:13:27.29:33,30:29:33:13.14,28:27:33:13.14| Show InChI InChI=1S/C23H17Cl6NO5S/c1-12-7-9-14(10-8-12)36(33,34)30-19(31)15-16(20(32)35-11-13-5-3-2-4-6-13)22(27)18(25)17(24)21(15,26)23(22,28)29/h2-10,15-16H,11H2,1H3,(H,30,31)/t15?,16-,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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-1 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 1 (Homo sapiens (Human))	BDBM50068115 (CHEMBL3402248) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C1[C@H](C(=O)OCc2ccccc2)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl |r,t:30,TLB:15:14:27.29:33,THB:11:13:27.29:33,30:29:33:13.14,28:27:33:13.14| Show InChI InChI=1S/C23H17Cl6NO5S/c1-12-7-9-14(10-8-12)36(33,34)30-19(31)15-16(20(32)35-11-13-5-3-2-4-6-13)22(27)18(25)17(24)21(15,26)23(22,28)29/h2-10,15-16H,11H2,1H3,(H,30,31)/t15?,16-,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA-1 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