Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM26985'   

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 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	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 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 5485-9 (2015) Article DOI: 10.1016/j.bmcl.2015.10.074 BindingDB Entry DOI: 10.7270/Q2K93BJF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	-15.8	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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR Curated by ChEMBL					Assay Description Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 4800-4804 (2017) Article DOI: 10.1016/j.bmc.2017.07.033 BindingDB Entry DOI: 10.7270/Q2028V0P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse, CNR Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration incubated for 15 mins prior to testing by stopped flow C...				Bioorg Med Chem 25: 2010-2015 (2017) Article DOI: 10.1016/j.bmc.2017.02.032 BindingDB Entry DOI: 10.7270/Q2JD5012
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	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 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 24: 4402-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.014 BindingDB Entry DOI: 10.7270/Q2348N4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk curves				Bioorg Med Chem 19: 744-8 (2011) Article DOI: 10.1016/j.bmc.2010.12.033 BindingDB Entry DOI: 10.7270/Q2ST7QT4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	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 2 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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					Assay Description Inhibition of human CA2 after 15 mins by stopped-flow/Co2 hydration assay				Bioorg Med Chem 23: 4405-9 (2015) Article DOI: 10.1016/j.bmc.2015.06.021 BindingDB Entry DOI: 10.7270/Q2JD4ZJ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorimetric stopped-flow method				Bioorg Med Chem 23: 4831-8 (2015) Article DOI: 10.1016/j.bmc.2015.05.029 BindingDB Entry DOI: 10.7270/Q20V8FK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Italy; Universit£ degliStudi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins by Lineweaver-burk plot method				Bioorg Med Chem 25: 575-580 (2017) Article DOI: 10.1016/j.bmc.2016.11.021 BindingDB Entry DOI: 10.7270/Q2M047FF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	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 carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 1127-32 (2014) Article DOI: 10.1016/j.bmcl.2013.12.124 BindingDB Entry DOI: 10.7270/Q2FX7DDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	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 2 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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	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 CA2 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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	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 2 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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 23: 1626-30 (2013) Article DOI: 10.1016/j.bmcl.2013.01.087 BindingDB Entry DOI: 10.7270/Q23X8806
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	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 2 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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	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 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 26: 1406-10 (2016) Article DOI: 10.1016/j.bmcl.2016.01.072 BindingDB Entry DOI: 10.7270/Q2W95C24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	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 2 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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	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-2 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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26985 (2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...) Show SMILES [N-]=[N+]=[N-] Show InChI InChI=1S/N3/c1-3-2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.51E+6	-15.8	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of Helicobacter pylori alpha carbonic anhydrase 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				3D Structure (crystal)