Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 1541   

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 [F130V] (Homo sapiens (Human))	BDBM12013 (4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE | CHEMBL...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	5.60	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12014 (2-fluoro-SBB | 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENY...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1F Show InChI InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12015 (4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZA...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.30	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12016 (2,3-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,3-DIFLU...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cccc(F)c1F Show InChI InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12017 (2,4-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,4-DIFLU...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1F Show InChI InChI=1S/C14H12F2N2O3S/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(6-3-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.30	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12023 (2,3,4,5,6-pentafluoro-SBB | 4-(AMINOSULFONYL)-N-[(...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12019 (2,6-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,6-DIFLU...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)cccc1F Show InChI InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.90	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12020 (2,3,4-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,3,4-...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)c(F)c1F Show InChI InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.80	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12021 (2,4,6-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,4,6-...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)cc(F)cc1F Show InChI InChI=1S/C14H11F3N2O3S/c15-9-5-12(16)11(13(17)6-9)7-19-14(20)8-1-3-10(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.90	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12022 (3,4,5-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(3,4,5-...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C14H11F3N2O3S/c15-11-5-8(6-12(16)13(11)17)7-19-14(20)9-1-3-10(4-2-9)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.90	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 [F130V] (Homo sapiens (Human))	BDBM12018 (2,5-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,5-DIFLU...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(F)ccc1F Show InChI InChI=1S/C14H12F2N2O3S/c15-11-3-6-13(16)10(7-11)8-18-14(19)9-1-4-12(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J
					More data for this Ligand-Target Pair				3D Structure (crystal)