Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM25904'   

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	-46.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem 16: 9113-20 (2008) Article DOI: 10.1016/j.bmc.2008.09.032 BindingDB Entry DOI: 10.7270/Q2ZW1J7D
					More data for this Ligand-Target Pair
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
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human full length carbonic anhydrase 1 by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 18: 2669-74 (2008) Article DOI: 10.1016/j.bmcl.2008.03.023 BindingDB Entry DOI: 10.7270/Q23R0TRX
					More data for this Ligand-Target Pair
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