Compile Data Set for Download or QSAR

Found 8 hits of ic50 data for polymerid = 50007139   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Botulinum neurotoxin type E (Clostridium botulinum)	BDBM50189879 (CHEMBL3827999) Show SMILES Oc1cc2cc3ccccc3cc2cc1C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H15NO2/c23-20-13-17-11-15-7-5-4-6-14(15)10-16(17)12-19(20)21(24)22-18-8-2-1-3-9-18/h1-13,23H,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brookhaven National Laboratory Curated by ChEMBL					Assay Description Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysis				Bioorg Med Chem 24: 3978-3985 (2016) Article DOI: 10.1016/j.bmc.2016.06.036 BindingDB Entry DOI: 10.7270/Q2VT1V28
					More data for this Ligand-Target Pair
Botulinum neurotoxin type E (Clostridium botulinum)	BDBM50189880 (CHEMBL3828454) Show SMILES OC(=O)c1cc(ccc1-c1ccc(cc1C(=O)Nc1ccc-2c(Cc3ccccc-23)c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C27H17N3O7/c31-26(28-17-5-8-21-16(12-17)11-15-3-1-2-4-20(15)21)24-13-18(29(34)35)6-9-22(24)23-10-7-19(30(36)37)14-25(23)27(32)33/h1-10,12-14H,11H2,(H,28,31)(H,32,33)	PDB UniProtKB/SwissProt 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
Brookhaven National Laboratory Curated by ChEMBL					Assay Description Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysis				Bioorg Med Chem 24: 3978-3985 (2016) Article DOI: 10.1016/j.bmc.2016.06.036 BindingDB Entry DOI: 10.7270/Q2VT1V28
					More data for this Ligand-Target Pair
Botulinum neurotoxin type E (Clostridium botulinum)	BDBM50189881 (CHEMBL3827632) Show SMILES OC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)Nc1ccc-2c(Cc3cc(Cl)cc(Cl)c-23)c1 Show InChI InChI=1S/C27H15Cl4NO3/c28-15-1-4-20(21-5-2-16(29)11-23(21)27(34)35)22(10-15)26(33)32-18-3-6-19-13(9-18)7-14-8-17(30)12-24(31)25(14)19/h1-6,8-12H,7H2,(H,32,33)(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brookhaven National Laboratory Curated by ChEMBL					Assay Description Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysis				Bioorg Med Chem 24: 3978-3985 (2016) Article DOI: 10.1016/j.bmc.2016.06.036 BindingDB Entry DOI: 10.7270/Q2VT1V28
					More data for this Ligand-Target Pair
Botulinum neurotoxin type E (Clostridium botulinum)	BDBM50322673 (2'-(9H-fluoren-2-ylcarbamoyl)-4,4'-dichlorobipheny...) Show SMILES OC(=O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)Nc1ccc-2c(Cc3ccccc-23)c1 Show InChI InChI=1S/C27H17Cl2NO3/c28-17-5-8-22(23-9-6-18(29)14-25(23)27(32)33)24(13-17)26(31)30-19-7-10-21-16(12-19)11-15-3-1-2-4-20(15)21/h1-10,12-14H,11H2,(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brookhaven National Laboratory Curated by ChEMBL					Assay Description Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysis				Bioorg Med Chem 24: 3978-3985 (2016) Article DOI: 10.1016/j.bmc.2016.06.036 BindingDB Entry DOI: 10.7270/Q2VT1V28
					More data for this Ligand-Target Pair
Botulinum neurotoxin type E (Clostridium botulinum)	BDBM50189882 (CHEMBL3828595) Show SMILES Clc1cc2Cc3cc(ccc3-c2c(Cl)c1)-n1c(=O)c2cc(Cl)ccc2c2ccc(Cl)cc2c1=O Show InChI InChI=1S/C27H13Cl4NO2/c28-15-1-4-20-21-5-2-16(29)11-23(21)27(34)32(26(33)22(20)10-15)18-3-6-19-13(9-18)7-14-8-17(30)12-24(31)25(14)19/h1-6,8-12H,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brookhaven National Laboratory Curated by ChEMBL					Assay Description Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysis				Bioorg Med Chem 24: 3978-3985 (2016) Article DOI: 10.1016/j.bmc.2016.06.036 BindingDB Entry DOI: 10.7270/Q2VT1V28
					More data for this Ligand-Target Pair
Botulinum neurotoxin type E (Clostridium botulinum)	BDBM50534915 (CHEMBL4546947) Show SMILES CC(C)C[C@@H](NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)C(=O)Nc1cccc(C)c1C |r| Show InChI InChI=1S/C22H27N3O5S/c1-13(2)11-18(21(26)23-17-8-6-7-14(3)15(17)4)24-31(28,29)16-9-10-20-19(12-16)25(5)22(27)30-20/h6-10,12-13,18,24H,11H2,1-5H3,(H,23,26)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/E light chain using GFP-tagged VAMP2/SNAP-25 (Ala128 to Gly206 residues) as substrate after 15 mins by GFP b...				Bioorg Med Chem 24: 4875-4889 (2016) Article DOI: 10.1016/j.bmc.2016.07.031 BindingDB Entry DOI: 10.7270/Q2JH3QPJ
					More data for this Ligand-Target Pair
Botulinum neurotoxin type E (Clostridium botulinum)	BDBM50534916 (CHEMBL4441787) Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)C(=O)Nc1cccc(C)c1C |r| Show InChI InChI=1S/C22H27N3O5S/c1-6-13(2)20(21(26)23-17-9-7-8-14(3)15(17)4)24-31(28,29)16-10-11-19-18(12-16)25(5)22(27)30-19/h7-13,20,24H,6H2,1-5H3,(H,23,26)/t13-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/E light chain using GFP-tagged VAMP2/SNAP-25 (Ala128 to Gly206 residues) as substrate after 15 mins by GFP b...				Bioorg Med Chem 24: 4875-4889 (2016) Article DOI: 10.1016/j.bmc.2016.07.031 BindingDB Entry DOI: 10.7270/Q2JH3QPJ
					More data for this Ligand-Target Pair
Botulinum neurotoxin type E (Clostridium botulinum)	BDBM50189883 (CHEMBL1999371) Show SMILES OC(=O)c1ccccc1C(=O)c1ccc-2c(Cc3ccccc-23)c1 Show InChI InChI=1S/C21H14O3/c22-20(18-7-3-4-8-19(18)21(23)24)14-9-10-17-15(12-14)11-13-5-1-2-6-16(13)17/h1-10,12H,11H2,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/E light chain using GFP-tagged VAMP2/SNAP-25 (Ala128 to Gly206 residues) as substrate after 15 mins by GFP b...				Bioorg Med Chem 24: 4875-4889 (2016) Article DOI: 10.1016/j.bmc.2016.07.031 BindingDB Entry DOI: 10.7270/Q2JH3QPJ
					More data for this Ligand-Target Pair