Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50137677'   

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))	BDBM50137677 (4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyr...) Show SMILES NS(=O)(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1 Show InChI InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	930	-33.8	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))	BDBM50137677 (4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyr...) Show SMILES NS(=O)(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1 Show InChI InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+3	-33.7	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))	BDBM50137677 (4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyr...) Show SMILES NS(=O)(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1 Show InChI InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+3	-33.2	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