Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM26984'   

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))	BDBM26984 (CHEMBL1644697 | CN(-1) | cyanide | iminomethanide) Show SMILES [C-]#N Show InChI InChI=1S/CN/c1-2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	-35.4	n/a	n/a	n/a	n/a	n/a	7.5	20
Universita degli Studi di Firenze					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 Lett 19: 1155-8 (2009) Article DOI: 10.1016/j.bmcl.2008.12.082 BindingDB Entry DOI: 10.7270/Q2KD1W79
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26984 (CHEMBL1644697 | CN(-1) | cyanide | iminomethanide) Show SMILES [C-]#N Show InChI InChI=1S/CN/c1-2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	-35.4	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26984 (CHEMBL1644697 | CN(-1) | cyanide | iminomethanide) Show SMILES [C-]#N Show InChI InChI=1S/CN/c1-2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse (IBBR)-CNR Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 24: 4389-96 (2014) Article DOI: 10.1016/j.bmcl.2014.08.015 BindingDB Entry DOI: 10.7270/Q28054D1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26984 (CHEMBL1644697 | CN(-1) | cyanide | iminomethanide) Show SMILES [C-]#N Show InChI InChI=1S/CN/c1-2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5				Bioorg Med Chem 19: 1847-51 (2011) Article DOI: 10.1016/j.bmc.2011.02.015 BindingDB Entry DOI: 10.7270/Q2QN672R
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26984 (CHEMBL1644697 | CN(-1) | cyanide | iminomethanide) Show SMILES [C-]#N Show InChI InChI=1S/CN/c1-2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 at 20 degC preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 21: 4472-6 (2013) Article DOI: 10.1016/j.bmc.2013.05.058 BindingDB Entry DOI: 10.7270/Q28S4SV8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26984 (CHEMBL1644697 | CN(-1) | cyanide | iminomethanide) Show SMILES [C-]#N Show InChI InChI=1S/CN/c1-2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	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 carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 23: 1636-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.084 BindingDB Entry DOI: 10.7270/Q2VD70TX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26984 (CHEMBL1644697 | CN(-1) | cyanide | iminomethanide) Show SMILES [C-]#N Show InChI InChI=1S/CN/c1-2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type CA1 by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 23: 256-60 (2012) Article DOI: 10.1016/j.bmcl.2012.10.103 BindingDB Entry DOI: 10.7270/Q2ZC846G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26984 (CHEMBL1644697 | CN(-1) | cyanide | iminomethanide) Show SMILES [C-]#N Show InChI InChI=1S/CN/c1-2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	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 cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 22: 7142-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.065 BindingDB Entry DOI: 10.7270/Q2930VB8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26984 (CHEMBL1644697 | CN(-1) | cyanide | iminomethanide) Show SMILES [C-]#N Show InChI InChI=1S/CN/c1-2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay at pH 8.3				Bioorg Med Chem Lett 21: 3591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.04.105 BindingDB Entry DOI: 10.7270/Q2930TGN
					More data for this Ligand-Target Pair