Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50038791   

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))	BDBM25904 (2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfona...) Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.5	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 recombinant full length CA1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 1371-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8
					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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 1371-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (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	PDB Article PubMed	50	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 recombinant full length CA1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 1371-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50248167 (2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...) Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1 Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	50.9	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 recombinant full length CA1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 1371-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8
					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 recombinant full length CA1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 1371-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8
					More data for this Ligand-Target Pair				3D Structure (crystal)