Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50049091   

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
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234245 (CHEMBL4060854) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1cccnc1)c1ccc(F)cc1F Show InChI InChI=1S/C21H14ClF2N3O/c22-17-10-16(21(28)20-14(17)4-2-8-26-20)19(27-13-3-1-7-25-11-13)15-6-5-12(23)9-18(15)24/h1-11,19,27-28H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234255 (CHEMBL4091467) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1 Show InChI InChI=1S/C21H15ClFN3O/c22-17-12-16(21(27)20-15(17)4-3-11-25-20)19(13-6-8-14(23)9-7-13)26-18-5-1-2-10-24-18/h1-12,19,27H,(H,24,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM52237 (2-methyl-7-[phenyl-(2-pyridinylamino)methyl]-8-qui...) Show SMILES Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1 Show InChI InChI=1S/C22H19N3O/c1-15-10-11-17-12-13-18(22(26)21(17)24-15)20(16-7-3-2-4-8-16)25-19-9-5-6-14-23-19/h2-14,20,26H,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234257 (CHEMBL4089872) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1F Show InChI InChI=1S/C21H14ClF2N3O/c22-16-11-15(21(28)20-13(16)4-3-9-26-20)19(27-18-5-1-2-8-25-18)14-7-6-12(23)10-17(14)24/h1-11,19,28H,(H,25,27)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234270 (CHEMBL4071334) Show SMILES Cc1ccc2ccc(C(Nc3cccnc3)c3ccccc3F)c(O)c2n1 Show InChI InChI=1S/C22H18FN3O/c1-14-8-9-15-10-11-18(22(27)20(15)25-14)21(17-6-2-3-7-19(17)23)26-16-5-4-12-24-13-16/h2-13,21,26-27H,1H3	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234272 (CHEMBL4084638) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1cccnc1)c1ccccc1F Show InChI InChI=1S/C21H15ClFN3O/c22-17-11-16(21(27)20-14(17)7-4-10-25-20)19(15-6-1-2-8-18(15)23)26-13-5-3-9-24-12-13/h1-12,19,26-27H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234273 (CHEMBL4100165) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccc(F)cc1 Show InChI InChI=1S/C20H14ClFN4O/c21-16-11-15(19(27)18-14(16)3-1-8-23-18)17(12-4-6-13(22)7-5-12)26-20-24-9-2-10-25-20/h1-11,17,27H,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234248 (CHEMBL4068440) Show SMILES Cc1ccc2ccc(C(Nc3cccnc3)c3ccc(F)cc3)c(O)c2n1 Show InChI InChI=1S/C22H18FN3O/c1-14-4-5-16-8-11-19(22(27)21(16)25-14)20(15-6-9-17(23)10-7-15)26-18-3-2-12-24-13-18/h2-13,20,26-27H,1H3	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234264 (CHEMBL1326401) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccc1F Show InChI InChI=1S/C21H16FN3O/c22-17-8-2-1-7-15(17)20(25-18-9-3-4-12-23-18)16-11-10-14-6-5-13-24-19(14)21(16)26/h1-13,20,26H,(H,23,25)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234259 (CHEMBL4099530) Show SMILES Cc1ccc2ccc(C(Nc3cccnc3)c3ccccc3)c(O)c2n1 Show InChI InChI=1S/C22H19N3O/c1-15-9-10-17-11-12-19(22(26)21(17)24-15)20(16-6-3-2-4-7-16)25-18-8-5-13-23-14-18/h2-14,20,25-26H,1H3	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50442297 (CHEMBL2442244) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccccc1F Show InChI InChI=1S/C21H15ClFN3O/c22-16-12-15(21(27)20-13(16)7-5-11-25-20)19(14-6-1-2-8-17(14)23)26-18-9-3-4-10-24-18/h1-12,19,27H,(H,24,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234258 (CHEMBL4098372) Show SMILES Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3F)c(O)c2n1 Show InChI InChI=1S/C22H18FN3O/c1-14-9-10-15-11-12-17(22(27)20(15)25-14)21(16-6-2-3-7-18(16)23)26-19-8-4-5-13-24-19/h2-13,21,27H,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50362898 (CHEMBL1945166) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccccc1 Show InChI InChI=1S/C21H16ClN3O/c22-17-13-16(21(26)20-15(17)9-6-12-24-20)19(14-7-2-1-3-8-14)25-18-10-4-5-11-23-18/h1-13,19,26H,(H,23,25)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50339142 (CHEMBL1688558 | rac-7-(phenyl(pyridin-2-ylamino)me...) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccc1 Show InChI InChI=1S/C21H17N3O/c25-21-17(12-11-16-9-6-14-23-20(16)21)19(15-7-2-1-3-8-15)24-18-10-4-5-13-22-18/h1-14,19,25H,(H,22,24)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50447139 (CHEMBL3112900) Show SMILES Cc1ccc2ccc(C(Nc3ccccn3)c3ccc(F)cc3)c(O)c2n1 Show InChI InChI=1S/C22H18FN3O/c1-14-5-6-16-9-12-18(22(27)21(16)25-14)20(15-7-10-17(23)11-8-15)26-19-4-2-3-13-24-19/h2-13,20,27H,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234262 (CHEMBL4085460) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ncccn1)c1ccc(F)cc1 Show InChI InChI=1S/C20H15FN4O/c21-15-7-4-14(5-8-15)17(25-20-23-11-2-12-24-20)16-9-6-13-3-1-10-22-18(13)19(16)26/h1-12,17,26H,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50013712 (2-aminopyridin | 2-aminopyridine | CHEMBL21619 | P...) Show SMILES Nc1ccccn1 Show InChI InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234276 (CHEMBL4070394) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ncccn1)c1ccccc1F Show InChI InChI=1S/C20H15FN4O/c21-16-7-2-1-6-14(16)18(25-20-23-11-4-12-24-20)15-9-8-13-5-3-10-22-17(13)19(15)26/h1-12,18,26H,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM76305 (5-chloranylquinolin-8-ol | 5-chloro-8-quinolinol |...) Show SMILES Oc1ccc(Cl)c2cccnc12 Show InChI InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234246 (CHEMBL4085501) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccc(F)cc1F Show InChI InChI=1S/C20H13ClF2N4O/c21-15-10-14(19(28)18-12(15)3-1-6-24-18)17(27-20-25-7-2-8-26-20)13-5-4-11(22)9-16(13)23/h1-10,17,28H,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234267 (CHEMBL3183207) Show SMILES Fc1ccc(C=O)cc1 Show InChI InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234256 (CHEMBL4061926) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1cccnc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H15ClFN3O/c22-18-11-17(21(27)20-16(18)4-2-10-25-20)19(13-5-7-14(23)8-6-13)26-15-3-1-9-24-12-15/h1-12,19,26-27H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50339144 (CHEMBL1688560 | rac-7-((2-fluorophenyl)(pyridin-3-...) Show SMILES Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccccc1F Show InChI InChI=1S/C21H16FN3O/c22-18-8-2-1-7-16(18)20(25-15-6-4-11-23-13-15)17-10-9-14-5-3-12-24-19(14)21(17)26/h1-13,20,25-26H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234271 (CHEMBL4059783) Show SMILES Cc1ccc2ccc(C(Nc3ccccn3)c3ccc(F)cc3F)c(O)c2n1 Show InChI InChI=1S/C22H17F2N3O/c1-13-5-6-14-7-9-17(22(28)20(14)26-13)21(27-19-4-2-3-11-25-19)16-10-8-15(23)12-18(16)24/h2-12,21,28H,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234277 (CHEMBL4081983) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ncccn1)c1ccccc1 Show InChI InChI=1S/C20H16N4O/c25-19-16(10-9-15-8-4-11-21-18(15)19)17(14-6-2-1-3-7-14)24-20-22-12-5-13-23-20/h1-13,17,25H,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234269 (CHEMBL4084647) Show SMILES Fc1ccccc1C=O Show InChI InChI=1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM60953 (BDBM50139371 | benzaldehyde) Show SMILES O=Cc1ccccc1 Show InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50122005 (CHEMBL25541 | Pyridin-3-ylamine) Show SMILES Nc1cccnc1 Show InChI InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234252 (CHEMBL4079277) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1cccnc1)c1ccccc1 Show InChI InChI=1S/C21H16ClN3O/c22-18-12-17(21(26)20-16(18)9-5-11-24-20)19(14-6-2-1-3-7-14)25-15-8-4-10-23-13-15/h1-13,19,25-26H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234261 (CHEMBL4072352) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1F Show InChI InChI=1S/C21H15F2N3O/c22-14-7-9-15(17(23)12-14)20(26-18-5-1-2-10-24-18)16-8-6-13-4-3-11-25-19(13)21(16)27/h1-12,20,27H,(H,24,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM32203 (8-quinolinol | CHEMBL310555 | US10005735, Table 1....) Show SMILES Oc1cccc2cccnc12 Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50065785 (2-Methyl-quinolin-8-ol | CHEMBL316892) Show SMILES Cc1ccc2cccc(O)c2n1 Show InChI InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234254 (CHEMBL4076803) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccccc1F Show InChI InChI=1S/C20H14ClFN4O/c21-15-11-14(19(27)18-12(15)6-3-8-23-18)17(13-5-1-2-7-16(13)22)26-20-24-9-4-10-25-20/h1-11,17,27H,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50447140 (CHEMBL3112899) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1 Show InChI InChI=1S/C21H16FN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234249 (CHEMBL4095785) Show SMILES Cc1ccc2ccc(C(Nc3ncccn3)c3ccc(F)cc3)c(O)c2n1 Show InChI InChI=1S/C21H17FN4O/c1-13-3-4-15-7-10-17(20(27)19(15)25-13)18(14-5-8-16(22)9-6-14)26-21-23-11-2-12-24-21/h2-12,18,27H,1H3,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234251 (CHEMBL4087160) Show SMILES Cc1ccc2ccc(C(Nc3ncccn3)c3ccc(F)cc3F)c(O)c2n1 Show InChI InChI=1S/C21H16F2N4O/c1-12-3-4-13-5-7-16(20(28)18(13)26-12)19(27-21-24-9-2-10-25-21)15-8-6-14(22)11-17(15)23/h2-11,19,28H,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234275 (CHEMBL4093118) Show SMILES Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccc(F)cc1F Show InChI InChI=1S/C21H15F2N3O/c22-14-6-8-16(18(23)11-14)20(26-15-4-2-9-24-12-15)17-7-5-13-3-1-10-25-19(13)21(17)27/h1-12,20,26-27H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234253 (CHEMBL4090577) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccccc1 Show InChI InChI=1S/C20H15ClN4O/c21-16-12-15(19(26)18-14(16)8-4-9-22-18)17(13-6-2-1-3-7-13)25-20-23-10-5-11-24-20/h1-12,17,26H,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234263 (CHEMBL4103385) Show SMILES Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H16FN3O/c22-16-8-5-15(6-9-16)19(25-17-4-2-11-23-13-17)18-10-7-14-3-1-12-24-20(14)21(18)26/h1-13,19,25-26H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50354823 (CHEMBL88580) Show SMILES Nc1ncccn1 Show InChI InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234274 (CHEMBL4062693) Show SMILES Cc1ccc2ccc(C(Nc3ncccn3)c3ccccc3)c(O)c2n1 Show InChI InChI=1S/C21H18N4O/c1-14-8-9-16-10-11-17(20(26)19(16)24-14)18(15-6-3-2-4-7-15)25-21-22-12-5-13-23-21/h2-13,18,26H,1H3,(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234268 (CHEMBL4092237) Show SMILES Fc1ccc(C=O)c(F)c1 Show InChI InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234266 (CHEMBL4099990) Show SMILES Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccccc1 Show InChI InChI=1S/C21H17N3O/c25-21-18(11-10-16-8-4-13-23-20(16)21)19(15-6-2-1-3-7-15)24-17-9-5-12-22-14-17/h1-14,19,24-25H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234247 (CHEMBL4059959) Show SMILES Cc1ccc2ccc(C(Nc3ncccn3)c3ccccc3F)c(O)c2n1 Show InChI InChI=1S/C21H17FN4O/c1-13-7-8-14-9-10-16(20(27)18(14)25-13)19(15-5-2-3-6-17(15)22)26-21-23-11-4-12-24-21/h2-12,19,27H,1H3,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234250 (CHEMBL4088059) Show SMILES Cc1ccc2ccc(C(Nc3cccnc3)c3ccc(F)cc3F)c(O)c2n1 Show InChI InChI=1S/C22H17F2N3O/c1-13-4-5-14-6-8-18(22(28)20(14)26-13)21(27-16-3-2-10-25-12-16)17-9-7-15(23)11-19(17)24/h2-12,21,27-28H,1H3	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50234260 (CHEMBL4095202) Show SMILES Oc1c(ccc2cccnc12)C(Nc1ncccn1)c1ccc(F)cc1F Show InChI InChI=1S/C20H14F2N4O/c21-13-5-7-14(16(22)11-13)18(26-20-24-9-2-10-25-20)15-6-4-12-3-1-8-23-17(12)19(15)27/h1-11,18,27H,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair