Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM4374'   

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))	BDBM4374 ((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	980	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
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM4374 ((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.56E+3	-33.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM4374 ((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.37E+5	-18.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Ataturk 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 using s...				Chem Biol Drug Des 75: 515-20 (2010) Article DOI: 10.1111/j.1747-0285.2010.00965.x BindingDB Entry DOI: 10.7270/Q23F4N46
					More data for this Ligand-Target Pair