Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 3528   

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 (Bos taurus)	BDBM35997 (1,4-dioxo-1,2,3,4-tetrahydro-1,2,3-benzothiadiazin...) Show SMILES O=C1NNS(=O)(=O)c2ccccc12 Show InChI InChI=1S/C7H6N2O3S/c10-7-5-3-1-2-4-6(5)13(11,12)9-8-7/h1-4,9H,(H,8,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents		n/a	n/a	n/a	3.89E+4	n/a	4.99E+4	1.94	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM35999 (2-methylbenzene-1-sulfonamide | SPR_3) Show SMILES Cc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents		n/a	n/a	n/a	2.18E+3	n/a	1.10E+5	0.240	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM36000 (3,5-dichlorobenzene-1-sulfonamide | SPR_4) Show SMILES NS(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	287	n/a	9.02E+5	0.259	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM36001 (6-aminopyridine-3-sulfonamide | SPR_5) Show SMILES Nc1ccc(cn1)S(N)(=O)=O Show InChI InChI=1S/C5H7N3O2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H,(H2,6,8)(H2,7,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents		n/a	n/a	n/a	1.08E+4	n/a	1.88E+4	0.203	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM36002 (2,3-dihydro-1,4-benzodioxine-6-sulfonamide | SPR_6) Show SMILES NS(=O)(=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C8H9NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents		n/a	n/a	n/a	817	n/a	1.34E+5	0.109	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM36004 (2,4-difluorobenzene-1-sulfonamide | SPR_8) Show SMILES NS(=O)(=O)c1ccc(F)cc1F Show InChI InChI=1S/C6H5F2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	394	n/a	2.72E+5	0.107	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM36005 (2,3-dihydro-1H-indole-5-sulfonamide | SPR_9) Show SMILES NS(=O)(=O)c1ccc2NCCc2c1 Show InChI InChI=1S/C8H10N2O2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H2,9,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents		n/a	n/a	n/a	3.11E+3	n/a	1.88E+4	0.0585	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM36006 (2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazole-5-s...) Show SMILES CCCn1c2ccc(cc2[nH]c1=O)S(N)(=O)=O Show InChI InChI=1S/C10H13N3O3S/c1-2-5-13-9-4-3-7(17(11,15)16)6-8(9)12-10(13)14/h3-4,6H,2,5H2,1H3,(H,12,14)(H2,11,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	n/a	197	n/a	4.75E+5	0.0935	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM36007 (3-chloro-5-fluoro-2-methylbenzene-1-sulfonamide | ...) Show SMILES Cc1c(Cl)cc(F)cc1S(N)(=O)=O Show InChI InChI=1S/C7H7ClFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	n/a	96.8	n/a	7.88E+5	0.0763	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM36008 (2-amino-1,3-benzothiazole-6-sulfonamide | SPR_12) Show SMILES Nc1nc2ccc(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C7H7N3O2S2/c8-7-10-5-2-1-4(14(9,11)12)3-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	383	n/a	5.10E+4	0.0196	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	4.26E+3	n/a	1.43E+5	0.611	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM36003 (1-methyl-1H-imidazole-4-sulfonamide | SPR_7) Show SMILES Cn1cnc(c1)S(N)(=O)=O Show InChI InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents		n/a	n/a	n/a	3.53E+4	n/a	4.65E+3	0.164	7.4	25
University of Dundee					Assay Description SPR biosensor assay Biacore T100				ACS Med Chem Lett 1: 44-8 (2010) BindingDB Entry DOI: 10.7270/Q2BC3WXH
					More data for this Ligand-Target Pair