Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50042494   

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 12 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50426821 (4-(2-Guanidinoethyl)Benzenesulfonamide Hydrochlori...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C9H14N4O2S/c10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15/h1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50426821 (4-(2-Guanidinoethyl)Benzenesulfonamide Hydrochlori...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C9H14N4O2S/c10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15/h1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50426821 (4-(2-Guanidinoethyl)Benzenesulfonamide Hydrochlori...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C9H14N4O2S/c10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15/h1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50426821 (4-(2-Guanidinoethyl)Benzenesulfonamide Hydrochlori...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C9H14N4O2S/c10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15/h1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50014341 (4-amino(immino)methylaminobenzoate) Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50014341 (4-amino(immino)methylaminobenzoate) Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50014341 (4-amino(immino)methylaminobenzoate) Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50014341 (4-amino(immino)methylaminobenzoate) Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50426822 (1-(4-Hydroxyphenyl)Guanidine Hydrochloride | CHEMB...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C7H9N3O/c8-7(9)10-5-1-3-6(11)4-2-5/h1-4,11H,(H4,8,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50426822 (1-(4-Hydroxyphenyl)Guanidine Hydrochloride | CHEMB...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C7H9N3O/c8-7(9)10-5-1-3-6(11)4-2-5/h1-4,11H,(H4,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50426822 (1-(4-Hydroxyphenyl)Guanidine Hydrochloride | CHEMB...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C7H9N3O/c8-7(9)10-5-1-3-6(11)4-2-5/h1-4,11H,(H4,8,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50426822 (1-(4-Hydroxyphenyl)Guanidine Hydrochloride | CHEMB...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C7H9N3O/c8-7(9)10-5-1-3-6(11)4-2-5/h1-4,11H,(H4,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair