Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50016162   

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))	BDBM50165759 (4-{4-[2-(1,4-oxazinan-4-yl)ethylamino(thioxo)methy...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C20H27N5O5S3/c21-32(26,27)18-5-1-16(2-6-18)15-23-33(28,29)19-7-3-17(4-8-19)24-20(31)22-9-10-25-11-13-30-14-12-25/h1-8,23H,9-15H2,(H2,21,26,27)(H2,22,24,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50165766 (4-{4-[4-sulfamoylphenethylamino(thioxo)methylamino...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C22H25N5O6S4/c23-35(28,29)19-7-1-16(2-8-19)13-14-25-22(34)27-18-5-11-21(12-6-18)37(32,33)26-15-17-3-9-20(10-4-17)36(24,30)31/h1-12,26H,13-15H2,(H2,23,28,29)(H2,24,30,31)(H2,25,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165766 (4-{4-[4-sulfamoylphenethylamino(thioxo)methylamino...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C22H25N5O6S4/c23-35(28,29)19-7-1-16(2-8-19)13-14-25-22(34)27-18-5-11-21(12-6-18)37(32,33)26-15-17-3-9-20(10-4-17)36(24,30)31/h1-12,26H,13-15H2,(H2,23,28,29)(H2,24,30,31)(H2,25,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165759 (4-{4-[2-(1,4-oxazinan-4-yl)ethylamino(thioxo)methy...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C20H27N5O5S3/c21-32(26,27)18-5-1-16(2-6-18)15-23-33(28,29)19-7-3-17(4-8-19)24-20(31)22-9-10-25-11-13-30-14-12-25/h1-8,23H,9-15H2,(H2,21,26,27)(H2,22,24,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165762 (4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(...) Show SMILES CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C20H28N6O4S3/c1-25-12-14-26(15-13-25)11-10-22-20(31)23-16-2-8-19(9-3-16)33(29,30)24-17-4-6-18(7-5-17)32(21,27)28/h2-9,24H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165764 (4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(...) Show SMILES CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C21H30N6O4S3/c1-26-12-14-27(15-13-26)11-10-23-21(32)25-18-4-8-20(9-5-18)34(30,31)24-16-17-2-6-19(7-3-17)33(22,28)29/h2-9,24H,10-16H2,1H3,(H2,22,28,29)(H2,23,25,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165755 (4-[4-phenethylamino(thioxo)methylaminophenylsulfon...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C22H24N4O4S3/c23-32(27,28)20-10-6-18(7-11-20)16-25-33(29,30)21-12-8-19(9-13-21)26-22(31)24-15-14-17-4-2-1-3-5-17/h1-13,25H,14-16H2,(H2,23,27,28)(H2,24,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165761 (4-{4-[2-pyridylmethylamino(thioxo)methylamino]phen...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCc3ccccn3)cc2)cc1 Show InChI InChI=1S/C20H21N5O4S3/c21-31(26,27)18-8-4-15(5-9-18)13-24-32(28,29)19-10-6-16(7-11-19)25-20(30)23-14-17-3-1-2-12-22-17/h1-12,24H,13-14H2,(H2,21,26,27)(H2,23,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165760 (4-{4-[2-dimethylaminoethylamino(thioxo)methylamino...) Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H25N5O4S3/c1-23(2)12-11-20-18(28)22-15-5-9-17(10-6-15)30(26,27)21-13-14-3-7-16(8-4-14)29(19,24)25/h3-10,21H,11-13H2,1-2H3,(H2,19,24,25)(H2,20,22,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165757 (4-{4-[2-(1,4-oxazinan-4-yl)ethylamino(thioxo)methy...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C19H25N5O5S3/c20-31(25,26)17-5-3-16(4-6-17)23-32(27,28)18-7-1-15(2-8-18)22-19(30)21-9-10-24-11-13-29-14-12-24/h1-8,23H,9-14H2,(H2,20,25,26)(H2,21,22,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165756 (4-(2-{4-[2-dimethylaminoethylamino(thioxo)methylam...) Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H27N5O4S3/c1-24(2)14-13-21-19(29)23-16-5-9-18(10-6-16)31(27,28)22-12-11-15-3-7-17(8-4-15)30(20,25)26/h3-10,22H,11-14H2,1-2H3,(H2,20,25,26)(H2,21,23,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165758 (4-{4-[1,4-oxazinan-4-ylamino(thioxo)methylamino]ph...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C18H23N5O5S3/c19-30(24,25)16-5-1-14(2-6-16)13-20-31(26,27)17-7-3-15(4-8-17)21-18(29)22-23-9-11-28-12-10-23/h1-8,20H,9-13H2,(H2,19,24,25)(H2,21,22,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165763 (4-{4-[2-dimethylaminoethylamino(thioxo)methylamino...) Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H23N5O4S3/c1-22(2)12-11-19-17(27)20-13-3-9-16(10-4-13)29(25,26)21-14-5-7-15(8-6-14)28(18,23)24/h3-10,21H,11-12H2,1-2H3,(H2,18,23,24)(H2,19,20,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165765 (4-{4-[1,4-oxazinan-4-ylamino(thioxo)methylamino]ph...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C17H21N5O5S3/c18-29(23,24)15-5-3-14(4-6-15)21-30(25,26)16-7-1-13(2-8-16)19-17(28)20-22-9-11-27-12-10-22/h1-8,21H,9-12H2,(H2,18,23,24)(H2,19,20,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165762 (4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(...) Show SMILES CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C20H28N6O4S3/c1-25-12-14-26(15-13-25)11-10-22-20(31)23-16-2-8-19(9-3-16)33(29,30)24-17-4-6-18(7-5-17)32(21,27)28/h2-9,24H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165763 (4-{4-[2-dimethylaminoethylamino(thioxo)methylamino...) Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H23N5O4S3/c1-22(2)12-11-19-17(27)20-13-3-9-16(10-4-13)29(25,26)21-14-5-7-15(8-6-14)28(18,23)24/h3-10,21H,11-12H2,1-2H3,(H2,18,23,24)(H2,19,20,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50165755 (4-[4-phenethylamino(thioxo)methylaminophenylsulfon...) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C22H24N4O4S3/c23-32(27,28)20-10-6-18(7-11-20)16-25-33(29,30)21-12-8-19(9-13-21)26-22(31)24-15-14-17-4-2-1-3-5-17/h1-13,25H,14-16H2,(H2,23,27,28)(H2,24,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50165757 (4-{4-[2-(1,4-oxazinan-4-yl)ethylamino(thioxo)methy...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C19H25N5O5S3/c20-31(25,26)17-5-3-16(4-6-17)23-32(27,28)18-7-1-15(2-8-18)22-19(30)21-9-10-24-11-13-29-14-12-24/h1-8,23H,9-14H2,(H2,20,25,26)(H2,21,22,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165764 (4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(...) Show SMILES CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C21H30N6O4S3/c1-26-12-14-27(15-13-26)11-10-23-21(32)25-18-4-8-20(9-5-18)34(30,31)24-16-17-2-6-19(7-3-17)33(22,28)29/h2-9,24H,10-16H2,1H3,(H2,22,28,29)(H2,23,25,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165756 (4-(2-{4-[2-dimethylaminoethylamino(thioxo)methylam...) Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H27N5O4S3/c1-24(2)14-13-21-19(29)23-16-5-9-18(10-6-16)31(27,28)22-12-11-15-3-7-17(8-4-15)30(20,25)26/h3-10,22H,11-14H2,1-2H3,(H2,20,25,26)(H2,21,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165760 (4-{4-[2-dimethylaminoethylamino(thioxo)methylamino...) Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H25N5O4S3/c1-23(2)12-11-20-18(28)22-15-5-9-17(10-6-15)30(26,27)21-13-14-3-7-16(8-4-14)29(19,24)25/h3-10,21H,11-13H2,1-2H3,(H2,19,24,25)(H2,20,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
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
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10872 (4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					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
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10872 (4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10871 (4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sul...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10861 (4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...) Show SMILES NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10871 (4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sul...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50080733 (4-(4-aminophenylsulfonamido)-1-benzenesulfonamide ...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	DrugBank MMDB PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50080733 (4-(4-aminophenylsulfonamido)-1-benzenesulfonamide ...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165766 (4-{4-[4-sulfamoylphenethylamino(thioxo)methylamino...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C22H25N5O6S4/c23-35(28,29)19-7-1-16(2-8-19)13-14-25-22(34)27-18-5-11-21(12-6-18)37(32,33)26-15-17-3-9-20(10-4-17)36(24,30)31/h1-12,26H,13-15H2,(H2,23,28,29)(H2,24,30,31)(H2,25,27,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10872 (4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50165763 (4-{4-[2-dimethylaminoethylamino(thioxo)methylamino...) Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H23N5O4S3/c1-22(2)12-11-19-17(27)20-13-3-9-16(10-4-13)29(25,26)21-14-5-7-15(8-6-14)28(18,23)24/h3-10,21H,11-12H2,1-2H3,(H2,18,23,24)(H2,19,20,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10871 (4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sul...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10861 (4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...) Show SMILES NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50080733 (4-(4-aminophenylsulfonamido)-1-benzenesulfonamide ...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50165762 (4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(...) Show SMILES CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C20H28N6O4S3/c1-25-12-14-26(15-13-25)11-10-22-20(31)23-16-2-8-19(9-3-16)33(29,30)24-17-4-6-18(7-5-17)32(21,27)28/h2-9,24H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165757 (4-{4-[2-(1,4-oxazinan-4-yl)ethylamino(thioxo)methy...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C19H25N5O5S3/c20-31(25,26)17-5-3-16(4-6-17)23-32(27,28)18-7-1-15(2-8-18)22-19(30)21-9-10-24-11-13-29-14-12-24/h1-8,23H,9-14H2,(H2,20,25,26)(H2,21,22,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair

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