Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'wan othman' and Initial = 'wnn'   

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
Cholinesterase (Equus caballus (Horse))	BDBM50187684 (CHEMBL3827910) Show SMILES COc1c(OC)c(OC)c2c(ccc3ccccc23)c1CCN(C)C Show InChI InChI=1S/C21H25NO3/c1-22(2)13-12-17-16-11-10-14-8-6-7-9-15(14)18(16)20(24-4)21(25-5)19(17)23-3/h6-11H,12-13H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) pre-incubated for 15 mins before S-butyrylthiocholine chloride substrate addition and measured after 30 mins by c...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					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	580	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50187684 (CHEMBL3827910) Show SMILES COc1c(OC)c(OC)c2c(ccc3ccccc23)c1CCN(C)C Show InChI InChI=1S/C21H25NO3/c1-22(2)13-12-17-16-11-10-14-8-6-7-9-15(14)18(16)20(24-4)21(25-5)19(17)23-3/h6-11H,12-13H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50187683 (CHEMBL1186488) Show SMILES COc1cc(CCN(C)C)c2ccc3ccccc3c2c1OC Show InChI InChI=1S/C20H23NO2/c1-21(2)12-11-15-13-18(22-3)20(23-4)19-16-8-6-5-7-14(16)9-10-17(15)19/h5-10,13H,11-12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50187681 ((+)-Reticuline | (S)-Reticuline | CHEBI:16718 | L-...) Show SMILES COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O |r| Show InChI InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50187679 (CHEMBL3827872) Show SMILES [H][C@@]12Cc3cc4OCOc4cc3-c3c(OC)c(OC)cc(CCN1)c23 |r| Show InChI InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50187680 (CHEMBL483227) Show SMILES [H][C@]12CCCN1CC(=C(C2)c1ccc(OC)c(OC)c1)c1ccc(O)cc1 |r,c:8| Show InChI InChI=1S/C22H25NO3/c1-25-21-10-7-16(12-22(21)26-2)19-13-17-4-3-11-23(17)14-20(19)15-5-8-18(24)9-6-15/h5-10,12,17,24H,3-4,11,13-14H2,1-2H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50187680 (CHEMBL483227) Show SMILES [H][C@]12CCCN1CC(=C(C2)c1ccc(OC)c(OC)c1)c1ccc(O)cc1 |r,c:8| Show InChI InChI=1S/C22H25NO3/c1-25-21-10-7-16(12-22(21)26-2)19-13-17-4-3-11-23(17)14-20(19)15-5-8-18(24)9-6-15/h5-10,12,17,24H,3-4,11,13-14H2,1-2H3/t17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50187679 (CHEMBL3827872) Show SMILES [H][C@@]12Cc3cc4OCOc4cc3-c3c(OC)c(OC)cc(CCN1)c23 |r| Show InChI InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3/t13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50250422 ((+)-N-methyl-laurotetanine | CHEMBL464099 | N-meth...) Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50187682 (CHEMBL3827670) Show SMILES COc1cc2CCNC3CC4(CCC(O)CC4)c(c23)c1O |(-3.11,4.85,;-3.11,3.57,;-1.73,2.76,;-.39,3.53,;.92,2.76,;2.27,3.55,;3.62,2.76,;3.62,1.2,;2.27,.43,;2.27,-1.11,;-.39,-1.11,;.36,-2.44,;-.41,-3.76,;-1.97,-3.76,;-2.61,-4.86,;-2.72,-2.44,;-1.95,-1.11,;-.39,.43,;.92,1.2,;-1.73,1.2,;-2.84,.56,)| Show InChI InChI=1S/C17H23NO3/c1-21-13-8-10-4-7-18-12-9-17(5-2-11(19)3-6-17)15(14(10)12)16(13)20/h8,11-12,18-20H,2-7,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50187681 ((+)-Reticuline | (S)-Reticuline | CHEBI:16718 | L-...) Show SMILES COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O |r| Show InChI InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair