Affinity Data by PubMed id=19329331

PubMed code 19329331

Found 16 hits of Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23274 ((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...) Show SMILES ONC(=O)\C=C\c1ccc(Cl)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair				3D Structure (crystal)
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28913 (2-mercaptoacetamide, 12l \| N-[3-(4-nitrophenyl)-1H...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28906 (2-mercaptoacetamide, 12a \| N-[3-(4-chlorophenyl)-1...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair				3D Structure (crystal)
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28917 (2-mercaptoacetamide, 12g \| N-[3-(3-chlorophenyl)-1...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1cccc(Cl)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28911 (2-mercaptoacetamide, 12i \| N-[3-(4-bromophenyl)-1H...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1ccc(Br)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28918 (2-mercaptoacetamide, 12f \| 2-sulfanyl-N-{3-[2-(tri...) Show SMILES FC(F)(F)c1ccccc1-c1cc(NC(=O)CS)[nH]n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28912 (2-mercaptoacetamide, 12d \| 2-sulfanyl-N-{3-[4-(tri...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28919 (2-mercaptoacetamide, 12c \| 2-sulfanyl-N-{3-[3-(tri...) Show SMILES FC(F)(F)c1cccc(c1)-c1cc(NC(=O)CS)[nH]n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28910 (2-mercaptoacetamide, 12h \| N-[3-(4-fluorophenyl)-1...) Show SMILES Fc1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28909 (2-mercaptoacetamide, 12e \| N-(3-phenyl-1H-pyrazol-...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28914 (2-mercaptoacetamide, 12j \| N-[3-(4-methylphenyl)-1...) Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28916 (2-mercaptoacetamide, 12b \| N-[3-(2-chlorophenyl)-1...) Show SMILES SCC(=O)Nc1cc(n[nH]1)-c1ccccc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28915 (2-mercaptoacetamide, 12k \| N-[3-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.45E+4	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28905 (3-mercaptopropionamide analog, 5 \| N-[3-(4-chlorop...) Show SMILES SCCC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+5	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28908 (N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]acetamide \| ...) Show SMILES CC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM28907 (2-hydroxyacetamide, 6 \| N-[3-(4-chlorophenyl)-1H-p...) Show SMILES OCC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
Absolute Science, Inc.					More data for this Ligand-Target Pair

* indicates data uncertainty>20%