Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'romero' and Initial = 'c'   

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
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50019010 (CHEMBL3288082) Show SMILES [Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(C)C |r| Show InChI InChI=1S/C30H52O8S2.2Na/c1-18(2)19-11-14-28(6)24(38-40(34,35)36)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(37-39(31,32)33)26(3,4)21(27)12-16-29(22,30)7;;/h18-25H,9-17H2,1-8H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Uncompetitive inhibition of Pacific electric ray AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50200120 (CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554708 (CHEMBL4746493) Show SMILES ON(CCc1nnn2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554707 (CHEMBL4751248) Show SMILES ON(CCn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554702 (CHEMBL4776055) Show SMILES ON(CCn1ccc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554703 (CHEMBL4798753) Show SMILES ON(CCCc1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554700 (CHEMBL4786538) Show SMILES ON(CCn1ncc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554704 (CHEMBL4755244) Show SMILES ON(CCN1C(=O)Cc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554709 (CHEMBL4755307) Show SMILES ON(CCc1nnc2cc(ccn12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554717 (CHEMBL4746231) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554725 (CHEMBL4780225) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1C[C@H](O)[C@@H](O)C1)N(O)C=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554705 (CHEMBL4796789) Show SMILES ON(CCn1ccc2nc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554706 (CHEMBL4761278) Show SMILES ON(CCn1ccc2cc(ncc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554724 (CHEMBL4786712) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1CC2(C1)C[S+]([O-])C2)N(O)C=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554723 (CHEMBL4758871) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1CC2(COC2)C1)N(O)C=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554722 (CHEMBL4776397) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)-n1ccnc1CO)N(O)C=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554701 (CHEMBL4760055) Show SMILES ON(CCn1cnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554713 (CHEMBL4794466) Show SMILES CSC(Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554712 (CHEMBL4779531) Show SMILES CCC(Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50554717 (CHEMBL4746231) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AchE expressed in HEK293 cells using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554714 (CHEMBL4741753) Show SMILES CCSC(Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554715 (CHEMBL4753921) Show SMILES COC(Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554720 (CHEMBL4756364) Show SMILES CCC(Cc1n[nH]c2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554711 (CHEMBL4794968) Show SMILES CC(Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50554722 (CHEMBL4776397) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)-n1ccnc1CO)N(O)C=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AchE expressed in HEK293 cells using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554718 (CHEMBL4763862) Show SMILES CS[C@H](Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50019013 (CHEMBL3288094) Show SMILES [H][C@]12[C@@H](CC[C@]1(C)C(=O)C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=C)C=O |r| Show InChI InChI=1S/C30H44O3/c1-18(17-31)19-10-13-28(5)24(33)16-30(7)20(25(19)28)8-9-22-27(4)14-12-23(32)26(2,3)21(27)11-15-29(22,30)6/h17,19-22,25H,1,8-16H2,2-7H3/t19-,20+,21-,22+,25+,27-,28+,29+,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50554725 (CHEMBL4780225) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1C[C@H](O)[C@@H](O)C1)N(O)C=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AchE expressed in HEK293 cells using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554721 (CHEMBL4756745) Show SMILES CC[C@@H]([C@@H](CC(C)O)c1n[nH]c2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50554723 (CHEMBL4758871) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1CC2(COC2)C1)N(O)C=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AchE expressed in HEK293 cells using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554716 (CHEMBL4797132) Show SMILES CCOC(Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50019010 (CHEMBL3288082) Show SMILES [Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(C)C |r| Show InChI InChI=1S/C30H52O8S2.2Na/c1-18(2)19-11-14-28(6)24(38-40(34,35)36)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(37-39(31,32)33)26(3,4)21(27)12-16-29(22,30)7;;/h18-25H,9-17H2,1-8H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554710 (CHEMBL4797709) Show SMILES OCC(Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554719 (CHEMBL4780842) Show SMILES ONC(=O)CNC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50019003 (CHEMBL3288074) Show SMILES [Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(C)=C |r| Show InChI InChI=1S/C30H50O8S2.2Na/c1-18(2)19-11-14-28(6)24(38-40(34,35)36)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(37-39(31,32)33)26(3,4)21(27)12-16-29(22,30)7;;/h19-25H,1,9-17H2,2-8H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+;;/m0../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50019012 (CHEMBL3288092) Show SMILES [H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OC(=O)CCCCC(O)=O)C(C)=C |r| Show InChI InChI=1S/C42H66O8/c1-26(2)27-19-22-40(6)32(50-36(48)16-12-10-14-34(45)46)25-42(8)28(37(27)40)17-18-30-39(5)23-21-31(49-35(47)15-11-9-13-33(43)44)38(3,4)29(39)20-24-41(30,42)7/h27-32,37H,1,9-25H2,2-8H3,(H,43,44)(H,45,46)/t27-,28+,29-,30+,31-,32-,37+,39-,40+,41+,42+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50554724 (CHEMBL4786712) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1CC2(C1)C[S+]([O-])C2)N(O)C=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AchE expressed in HEK293 cells using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50019010 (CHEMBL3288082) Show SMILES [Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(C)C |r| Show InChI InChI=1S/C30H52O8S2.2Na/c1-18(2)19-11-14-28(6)24(38-40(34,35)36)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(37-39(31,32)33)26(3,4)21(27)12-16-29(22,30)7;;/h18-25H,9-17H2,1-8H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+;;/m0../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50019009 (CHEMBL3288081) Show SMILES [Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(=C)CO |r| Show InChI InChI=1S/C30H50O9S2.2Na/c1-18(17-31)19-10-13-28(5)24(39-41(35,36)37)16-30(7)20(25(19)28)8-9-22-27(4)14-12-23(38-40(32,33)34)26(2,3)21(27)11-15-29(22,30)6;;/h19-25,31H,1,8-17H2,2-7H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+;;/m0../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50019003 (CHEMBL3288074) Show SMILES [Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(C)=C |r| Show InChI InChI=1S/C30H50O8S2.2Na/c1-18(2)19-11-14-28(6)24(38-40(34,35)36)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(37-39(31,32)33)26(3,4)21(27)12-16-29(22,30)7;;/h19-25H,1,9-17H2,2-8H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50019008 (CHEMBL3288080) Show SMILES [Na+].[Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(=C)COS([O-])(=O)=O |r| Show InChI InChI=1S/C30H50O12S3.3Na/c1-18(17-40-43(31,32)33)19-10-13-28(5)24(42-45(37,38)39)16-30(7)20(25(19)28)8-9-22-27(4)14-12-23(41-44(34,35)36)26(2,3)21(27)11-15-29(22,30)6;;;/h19-25H,1,8-17H2,2-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+;;;/m0.../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50019002 (Calenduladiol) Show SMILES [H][C@]12[C@@H](CC[C@]1(C)[C@@H](O)C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r| Show InChI InChI=1S/C30H50O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50019013 (CHEMBL3288094) Show SMILES [H][C@]12[C@@H](CC[C@]1(C)C(=O)C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=C)C=O |r| Show InChI InChI=1S/C30H44O3/c1-18(17-31)19-10-13-28(5)24(33)16-30(7)20(25(19)28)8-9-22-27(4)14-12-23(32)26(2,3)21(27)11-15-29(22,30)6/h17,19-22,25H,1,8-16H2,2-7H3/t19-,20+,21-,22+,25+,27-,28+,29+,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50019012 (CHEMBL3288092) Show SMILES [H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OC(=O)CCCCC(O)=O)C(C)=C |r| Show InChI InChI=1S/C42H66O8/c1-26(2)27-19-22-40(6)32(50-36(48)16-12-10-14-34(45)46)25-42(8)28(37(27)40)17-18-30-39(5)23-21-31(49-35(47)15-11-9-13-33(43)44)38(3,4)29(39)20-24-41(30,42)7/h27-32,37H,1,9-25H2,2-8H3,(H,43,44)(H,45,46)/t27-,28+,29-,30+,31-,32-,37+,39-,40+,41+,42+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50019011 (CHEMBL3288083) Show SMILES [Na+].[Na+].[H][C@]1(CC[C@]2(C)[C@H](C[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])OS([O-])(=O)=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H50O9S2.2Na/c1-25(2)20-11-15-28(5)21(26(20,3)14-12-22(25)38-40(31,32)33)9-8-18-24-19(30(7)17-37-30)10-13-27(24,4)23(16-29(18,28)6)39-41(34,35)36;;/h18-24H,8-17H2,1-7H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/t18-,19-,20+,21-,22+,23+,24+,26+,27-,28-,29-,30-;;/m1../s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50019009 (CHEMBL3288081) Show SMILES [Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(=C)CO |r| Show InChI InChI=1S/C30H50O9S2.2Na/c1-18(17-31)19-10-13-28(5)24(39-41(35,36)37)16-30(7)20(25(19)28)8-9-22-27(4)14-12-23(38-40(32,33)34)26(2,3)21(27)11-15-29(22,30)6;;/h19-25,31H,1,8-17H2,2-7H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method				Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220
					More data for this Ligand-Target Pair

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