Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'campbell' and Initial = 'y'   

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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222546 (CHEMBL241779 | tetralithium (2S)-2-(phosphonatoami...) Show SMILES [O-]C(=O)CC[C@H](NP([O-])([O-])=O)C([O-])=O Show InChI InChI=1S/C5H10NO7P/c7-4(8)2-1-3(5(9)10)6-14(11,12)13/h3H,1-2H2,(H,7,8)(H,9,10)(H3,6,11,12,13)/p-4/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222549 ((S)-2-phosphonoamino-pentanedioic acid | CHEMBL238...) Show SMILES OC(=O)CC[C@H](NP(O)(O)=O)C(O)=O Show InChI InChI=1S/C5H10NO7P/c7-4(8)2-1-3(5(9)10)6-14(11,12)13/h3H,1-2H2,(H,7,8)(H,9,10)(H3,6,11,12,13)/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222551 (CHEMBL241780 | tetralithium (2S)-2-(phosphonatooxy...) Show SMILES [O-]C(=O)CC[C@H](OP([O-])([O-])=O)C([O-])=O Show InChI InChI=1S/C5H9O8P/c6-4(7)2-1-3(5(8)9)13-14(10,11)12/h3H,1-2H2,(H,6,7)(H,8,9)(H2,10,11,12)/p-4/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222550 (CHEMBL239882 | tetrapotassium (3S,8S)-6-oxido-1-ox...) Show SMILES [O-]C(=O)CC[C@H](NP([O-])(=O)OC[C@H](NC(=O)c1ccccc1)C([O-])=O)C([O-])=O Show InChI InChI=1S/C15H19N2O10P/c18-12(19)7-6-10(14(21)22)17-28(25,26)27-8-11(15(23)24)16-13(20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,20)(H,18,19)(H,21,22)(H,23,24)(H2,17,25,26)/p-4/t10-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222542 (CHEMBL238831 | tetrapotassium (3S,8S)-2-methyl-6-o...) Show SMILES CN([C@@H](COP([O-])(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O)C(=O)c1ccccc1 Show InChI InChI=1S/C16H21N2O10P/c1-18(14(21)10-5-3-2-4-6-10)12(16(24)25)9-28-29(26,27)17-11(15(22)23)7-8-13(19)20/h2-6,11-12H,7-9H2,1H3,(H,19,20)(H,22,23)(H,24,25)(H2,17,26,27)/p-4/t11-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222545 (CHEMBL394011 | tripotassium (2S)-2-{[(4-phenylbuto...) Show SMILES [O-]C(=O)CC[C@H](NP([O-])(=O)OCCCCc1ccccc1)C([O-])=O Show InChI InChI=1S/C15H22NO7P/c17-14(18)10-9-13(15(19)20)16-24(21,22)23-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)(H,19,20)(H2,16,21,22)/p-3/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222552 (CHEMBL239041 | tripotassium (2S)-2-[({2-[benzoyl(m...) Show SMILES CN(CCOP([O-])(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C(=O)c1ccccc1 Show InChI InChI=1S/C15H21N2O8P/c1-17(14(20)11-5-3-2-4-6-11)9-10-25-26(23,24)16-12(15(21)22)7-8-13(18)19/h2-6,12H,7-10H2,1H3,(H,18,19)(H,21,22)(H2,16,23,24)/p-3/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					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)	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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222543 (CHEMBL239465 | tetrapotassium (3R,8S)-6-oxido-1-ox...) Show SMILES [O-]C(=O)CC[C@H](NP([O-])(=O)OC[C@@H](NC(=O)c1ccccc1)C([O-])=O)C([O-])=O Show InChI InChI=1S/C15H19N2O10P/c18-12(19)7-6-10(14(21)22)17-28(25,26)27-8-11(15(23)24)16-13(20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,20)(H,18,19)(H,21,22)(H,23,24)(H2,17,25,26)/p-4/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					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)	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)	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)	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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222548 (CHEMBL391840 | tetrapotassium (2S)-2-{[(2-carboxyl...) Show SMILES [O-]C(=O)CC[C@H](NP([O-])(=O)OCC(CCc1ccccc1)C([O-])=O)C([O-])=O Show InChI InChI=1S/C16H22NO9P/c18-14(19)9-8-13(16(22)23)17-27(24,25)26-10-12(15(20)21)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,19)(H,20,21)(H,22,23)(H2,17,24,25)/p-4/t12?,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					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 (strain Hall / ATCC 3502 / N...)	BDBM50362900 (CHEMBL1945284) Show SMILES Oc1c(cc(Cl)c2cccnc12)[C@@H](Nc1ccccn1)c1ccccc1 |r| 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)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute for Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum Hall BoNT/A light chain using SNAP-25 (187 to 203) as substrate by HPLC analysis				ACS Med Chem Lett 2: 396-401 (2011) Article DOI: 10.1021/ml200028z BindingDB Entry DOI: 10.7270/Q2JD4X80
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...)	BDBM50362899 (CHEMBL1945167) Show SMILES Oc1c(cc(Cl)c2cccnc12)[C@H](Nc1ccccn1)c1ccccc1 |r| 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)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute for Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum Hall BoNT/A light chain using SNAP-25 (187 to 203) as substrate by HPLC analysis				ACS Med Chem Lett 2: 396-401 (2011) Article DOI: 10.1021/ml200028z BindingDB Entry DOI: 10.7270/Q2JD4X80
					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)	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)	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)	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)	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 (strain Hall / ATCC 3502 / N...)	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 KEGG 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 for Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum Hall BoNT/A light chain using SNAP-25 (187 to 203) as substrate by HPLC analysis				ACS Med Chem Lett 2: 396-401 (2011) Article DOI: 10.1021/ml200028z BindingDB Entry DOI: 10.7270/Q2JD4X80
					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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222547 (CHEMBL400842 | tripotassium (2S)-2-({[2-(benzoylam...) Show SMILES [O-]C(=O)CC[C@H](NP([O-])(=O)OCCNC(=O)c1ccccc1)C([O-])=O Show InChI InChI=1S/C14H19N2O8P/c17-12(18)7-6-11(14(20)21)16-25(22,23)24-9-8-15-13(19)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,19)(H,17,18)(H,20,21)(H2,16,22,23)/p-3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					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 (strain Hall / ATCC 3502 / N...)	BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) Show SMILES CCOc1ccc(cc1)C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C23H20ClN3O2/c1-2-29-17-9-7-15(8-10-17)21(27-16-5-3-11-25-14-16)19-13-20(24)18-6-4-12-26-22(18)23(19)28/h3-14,21,27-28H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis				ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX
					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 (strain Hall / ATCC 3502 / N...)	BDBM50388866 (CHEMBL2062928) Show SMILES CCC[C@H]1Cc2cc3c(c(O)cc(O)c3c(O)c2C(=O)O1)-c1c(O)cc(O)c2c(O)c3C(=O)O[C@@H](CCC)Cc3cc12 |r,wU:3.2,wD:34.37,(18.54,.7,;17.2,1.46,;15.87,.68,;14.54,1.44,;13.2,.66,;11.85,1.42,;10.52,.65,;9.18,1.42,;7.85,.64,;6.51,1.41,;5.18,.64,;6.52,2.96,;7.84,3.73,;7.84,5.27,;9.18,2.96,;10.51,3.74,;10.5,5.28,;11.84,2.98,;13.17,3.77,;13.16,5.31,;14.52,3,;7.85,-.89,;6.52,-1.66,;5.18,-.9,;6.52,-3.2,;7.86,-3.97,;7.87,-5.51,;9.19,-3.19,;10.52,-3.94,;10.52,-5.48,;11.85,-3.17,;13.18,-3.92,;13.2,-5.46,;14.5,-3.14,;14.48,-1.6,;15.81,-.81,;17.15,-1.57,;18.48,-.78,;13.14,-.84,;11.83,-1.63,;10.5,-.88,;9.18,-1.65,)| Show InChI InChI=1S/C32H30O10/c1-3-5-15-7-13-9-17-25(19(33)11-21(35)27(17)29(37)23(13)31(39)41-15)26-18-10-14-8-16(6-4-2)42-32(40)24(14)30(38)28(18)22(36)12-20(26)34/h9-12,15-16,33-38H,3-8H2,1-2H3/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis				ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX
					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)	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)	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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222544 (CHEMBL391138 | tetrapotassium (2S)-2-{[(3-oxido-3-...) Show SMILES [O-]C(=O)CCOP([O-])(=O)N[C@@H](CCC([O-])=O)C([O-])=O Show InChI InChI=1S/C8H14NO9P/c10-6(11)2-1-5(8(14)15)9-19(16,17)18-4-3-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)(H2,9,16,17)/p-4/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					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

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