BindingDB PrimarySearch

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2679
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)	BDBM23299 (4-amino-7-chloroquinoline (ACQ)-based compound, 4 ...) 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	3.20E+3	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23298 (4-amino-7-chloroquinoline (ACQ)-based compound, 3 ...) 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	7.00E+3	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23296 ((2S,5R,7S,9R,14R,15R,16S)-14-[(1R)-4-({2-[(7-chlor...) 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	1.00E+4	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23297 (4-amino-7-chloroquinoline (ACQ)-based compound, 2 ...) 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	1.70E+4	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23304 (bis(acetyloxy)-3-aminocholan-24-oate \| bis(acetylo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23306 (4-amino-7-chloroquinoline (ACQ)-based compound, 11...) 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	n/a	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23303 (methyl (4R)-4-[(2S,5R,7S,9R,14R,15R,16S)-5,9,16-tr...) Show SMILES 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	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23302 (4-amino-7-chloroquinoline (ACQ)-based compound, 7 ...) Show SMILES NCCCNc1ccnc2cc(Cl)ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23301 (4-amino-7-chloroquinoline (ACQ)-based compound, 6 ...) Show SMILES NCCNc1ccnc2cc(Cl)ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23300 (4-amino-7-chloroquinoline (ACQ)-based compound, 5 ...) Show SMILES Nc1ccnc2cc(Cl)ccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair
Botulinum neurotoxin type A2 [1-425] (Clostridium botulinum)	BDBM23305 (4-amino-7-chloroquinoline (ACQ)-based compound, 10...) 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	n/a	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
National Cancer Institute at Frederick					More data for this Ligand-Target Pair