Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50137676'   

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))	BDBM50137676 (4-(3,4,5-Trihydroxy-6-methyl-tetrahydro-pyran-2-yl...) Show SMILES CC1OC(Nc2ccc(cc2)S(N)(=O)=O)C(O)C(O)C1O Show InChI InChI=1S/C12H18N2O6S/c1-6-9(15)10(16)11(17)12(20-6)14-7-2-4-8(5-3-7)21(13,18)19/h2-6,9-12,14-17H,1H3,(H2,13,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	-35.3	n/a	n/a	n/a	n/a	n/a	7.5	20
Institut des Biomolécules Max Mousseron (IBMM)					Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...				Chem Biol Drug Des 74: 636-9 (2009) Article DOI: 10.1111/j.1747-0285.2009.00902.x BindingDB Entry DOI: 10.7270/Q2VX0F1H
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50137676 (4-(3,4,5-Trihydroxy-6-methyl-tetrahydro-pyran-2-yl...) Show SMILES CC1OC(Nc2ccc(cc2)S(N)(=O)=O)C(O)C(O)C1O Show InChI InChI=1S/C12H18N2O6S/c1-6-9(15)10(16)11(17)12(20-6)14-7-2-4-8(5-3-7)21(13,18)19/h2-6,9-12,14-17H,1H3,(H2,13,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	-34.6	n/a	n/a	n/a	n/a	n/a	7.5	20
Institut des Biomolécules Max Mousseron (IBMM)					Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...				Chem Biol Drug Des 74: 636-9 (2009) Article DOI: 10.1111/j.1747-0285.2009.00902.x BindingDB Entry DOI: 10.7270/Q2VX0F1H
					More data for this Ligand-Target Pair