Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50044122   

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)	BDBM50004262 (CHEMBL1438301) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 Show InChI InChI=1S/C12H11N3O3S3/c13-21(17,18)9-5-3-8(4-6-9)14-12(19)15-11(16)10-2-1-7-20-10/h1-7H,(H2,13,17,18)(H2,14,15,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004258 (CHEMBL3237498) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cccs2)c1 Show InChI InChI=1S/C12H11N3O3S3/c13-21(17,18)9-4-1-3-8(7-9)14-12(19)15-11(16)10-5-2-6-20-10/h1-7H,(H2,13,17,18)(H2,14,15,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004252 (CHEMBL3237493) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C14H12ClN3O3S2/c15-10-4-1-3-9(7-10)13(19)18-14(22)17-11-5-2-6-12(8-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004255 (CHEMBL1330833) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H12N4O5S2/c15-25(22,23)12-6-2-4-10(8-12)16-14(24)17-13(19)9-3-1-5-11(7-9)18(20)21/h1-8H,(H2,15,22,23)(H2,16,17,19,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004260 (CHEMBL3237499) Show SMILES CC(C)(C)C(=O)NC(=S)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C12H17N3O3S2/c1-12(2,3)10(16)15-11(19)14-8-5-4-6-9(7-8)20(13,17)18/h4-7H,1-3H3,(H2,13,17,18)(H2,14,15,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004259 (CHEMBL1494785) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:19:23:16.17.22,THB:18:17:23:24.19.20,20:19:16:23.21.22,20:21:16:24.19.18| Show InChI InChI=1S/C18H23N3O3S2/c19-26(23,24)15-3-1-2-14(7-15)20-17(25)21-16(22)18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13H,4-6,8-10H2,(H2,19,23,24)(H2,20,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004253 (CHEMBL3237494) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C14H12ClN3O3S2/c15-10-6-4-9(5-7-10)13(19)18-14(22)17-11-2-1-3-12(8-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004257 (CHEMBL3237497) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccco2)c1 Show InChI InChI=1S/C12H11N3O4S2/c13-21(17,18)9-4-1-3-8(7-9)14-12(20)15-11(16)10-5-2-6-19-10/h1-7H,(H2,13,17,18)(H2,14,15,16,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004263 (CHEMBL3237501) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C17H13N3O5S2/c18-27(23,24)12-7-5-11(6-8-12)19-17(26)20-15(21)13-9-10-3-1-2-4-14(10)25-16(13)22/h1-9H,(H2,18,23,24)(H2,19,20,21,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004261 (CHEMBL3237500) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C17H13N3O5S2/c18-27(23,24)12-6-3-5-11(9-12)19-17(26)20-15(21)13-8-10-4-1-2-7-14(10)25-16(13)22/h1-9H,(H2,18,23,24)(H2,19,20,21,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004251 (CHEMBL3237492) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C14H12ClN3O3S2/c15-12-7-2-1-6-11(12)13(19)18-14(22)17-9-4-3-5-10(8-9)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004256 (CHEMBL3237496) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H11N5O7S2/c15-28(25,26)12-3-1-2-9(6-12)16-14(27)17-13(20)8-4-10(18(21)22)7-11(5-8)19(23)24/h1-7H,(H2,15,25,26)(H2,16,17,20,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM50004254 (CHEMBL3237495) Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O3S2/c15-8-4-5-11(12(16)6-8)13(20)19-14(23)18-9-2-1-3-10(7-9)24(17,21)22/h1-7H,(H2,17,21,22)(H2,18,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 78: 140-50 (2014) Article DOI: 10.1016/j.ejmech.2014.03.023 BindingDB Entry DOI: 10.7270/Q2PN975X
					More data for this Ligand-Target Pair