Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'abdul wahab' and Initial = 'sm'   

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))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	560	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 inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.33E+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 inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.86E+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 inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.15E+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 Mixed inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					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	220	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 using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182487 (Malabaricone A) Show SMILES Oc1cccc(O)c1C(=O)CCCCCCCCc1ccccc1 Show InChI InChI=1S/C21H26O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16,23-24H,1-4,6,9,11,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.76E+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 using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+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 using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182488 (CHEMBL3819036) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI InChI=1S/C21H26O5/c22-16-11-9-15(10-12-16)7-5-3-1-2-4-6-8-18(24)21-19(25)13-17(23)14-20(21)26/h9-14,22-23,25-26H,1-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50182488 (CHEMBL3819036) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI InChI=1S/C21H26O5/c22-16-11-9-15(10-12-16)7-5-3-1-2-4-6-8-18(24)21-19(25)13-17(23)14-20(21)26/h9-14,22-23,25-26H,1-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.65E+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 using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50182489 (CHEMBL3818374) Show SMILES Oc1ccc(CCCCCCCCC(c2ccc(O)c(C(=O)CCCCCCCCc3ccc(O)c(O)c3)c2O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C42H52O9/c43-32-23-20-28(26-38(32)49)14-9-5-1-3-7-11-16-30(40-34(45)18-13-19-35(40)46)31-22-25-37(48)41(42(31)51)36(47)17-12-8-4-2-6-10-15-29-21-24-33(44)39(50)27-29/h13,18-27,30,43-46,48-51H,1-12,14-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+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 using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50182490 (CHEMBL3819024) Show SMILES Oc1ccc(CCCCCCCCC(c2ccc(O)c(C(=O)CCCCCCCCc3ccc(O)c(O)c3)c2O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C42H52O8/c43-31-23-20-29(21-24-31)14-9-5-1-3-7-11-16-32(40-35(45)18-13-19-36(40)46)33-25-27-38(48)41(42(33)50)37(47)17-12-8-4-2-6-10-15-30-22-26-34(44)39(49)28-30/h13,18-28,32,43-46,48-50H,1-12,14-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+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 using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182489 (CHEMBL3818374) Show SMILES Oc1ccc(CCCCCCCCC(c2ccc(O)c(C(=O)CCCCCCCCc3ccc(O)c(O)c3)c2O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C42H52O9/c43-32-23-20-28(26-38(32)49)14-9-5-1-3-7-11-16-30(40-34(45)18-13-19-35(40)46)31-22-25-37(48)41(42(31)51)36(47)17-12-8-4-2-6-10-15-29-21-24-33(44)39(50)27-29/h13,18-27,30,43-46,48-51H,1-12,14-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182490 (CHEMBL3819024) Show SMILES Oc1ccc(CCCCCCCCC(c2ccc(O)c(C(=O)CCCCCCCCc3ccc(O)c(O)c3)c2O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C42H52O8/c43-31-23-20-29(21-24-31)14-9-5-1-3-7-11-16-32(40-35(45)18-13-19-36(40)46)33-25-27-38(48)41(42(33)50)37(47)17-12-8-4-2-6-10-15-30-22-26-34(44)39(49)28-30/h13,18-28,32,43-46,48-50H,1-12,14-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50182487 (Malabaricone A) Show SMILES Oc1cccc(O)c1C(=O)CCCCCCCCc1ccccc1 Show InChI InChI=1S/C21H26O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16,23-24H,1-4,6,9,11,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.92E+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 using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair