Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM25900'   

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))	BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12 Show InChI InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	348	-36.9	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 Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12 Show InChI InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	3.48E+5	-19.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Laboratoire Synthèse et Réactivité des Substances Naturelles					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 27: 886-91 (2012) Article DOI: 10.3109/14756366.2011.638921 BindingDB Entry DOI: 10.7270/Q2M0449D
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM25900 (2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12 Show InChI InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Naia Metabolic, Inc. US Patent					Assay Description Compounds which are CAIs are well known in the art, see for example, Pastorekova et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 19(3), ...				US Patent US10172837 (2019) BindingDB Entry DOI: 10.7270/Q2VT1V5M
					More data for this Ligand-Target Pair