Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM26187'   

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))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	-30.0	n/a	n/a	n/a	n/a	n/a	7.4	25
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 16: 7424-8 (2008) Article DOI: 10.1016/j.bmc.2008.06.013 BindingDB Entry DOI: 10.7270/Q2X065C8
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	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 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes CA2 using 4-nitrophenylacetate as substrate by esterase assay				Bioorg Med Chem Lett 25: 3261-3 (2015) Article DOI: 10.1016/j.bmcl.2015.05.073 BindingDB Entry DOI: 10.7270/Q2W37Z39
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 25: 5636-41 (2015) Article DOI: 10.1016/j.bmcl.2015.10.021 BindingDB Entry DOI: 10.7270/Q251412B
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem Lett 23: 6759-63 (2013) Article DOI: 10.1016/j.bmcl.2013.10.026 BindingDB Entry DOI: 10.7270/Q22B91Z2
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Calgary Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	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 by stopped-flow assay				Bioorg Med Chem Lett 23: 715-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.102 BindingDB Entry DOI: 10.7270/Q2RV0Q16
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Rosario Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow assay				Bioorg Med Chem Lett 23: 740-3 (2013) Article DOI: 10.1016/j.bmcl.2012.11.085 BindingDB Entry DOI: 10.7270/Q2N58NP3
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	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 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agri Ibrahim Çeçen University					Assay Description Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.				J Enzyme Inhib Med Chem 27: 880-5 (2012) Article DOI: 10.3109/14756366.2011.637202 BindingDB Entry DOI: 10.7270/Q2VH5MRR
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 28: 283-8 (2013) Article DOI: 10.3109/14756366.2011.643303 BindingDB Entry DOI: 10.7270/Q2QR4W1F
					More data for this Ligand-Target Pair				3D Structure (docked)