Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'finkelstein' and Initial = 'bl'   

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 (Bos taurus (bovine))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286935 (CHEMBL164546 | Methanesulfonic acid 1-isopropylcar...) Show SMILES CC(C)NC(=O)N1N=C(CC1C)OS(C)(=O)=O |c:7| Show InChI InChI=1S/C9H17N3O4S/c1-6(2)10-9(13)12-7(3)5-8(11-12)16-17(4,14)15/h6-7H,5H2,1-4H3,(H,10,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286933 (CHEMBL352910 | Methanesulfonic acid 1-isopropylcar...) Show SMILES CC(C)NC(=O)N1N=C(CC1c1ccccc1)OS(C)(=O)=O |c:7| Show InChI InChI=1S/C14H19N3O4S/c1-10(2)15-14(18)17-12(11-7-5-4-6-8-11)9-13(16-17)21-22(3,19)20/h4-8,10,12H,9H2,1-3H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	4.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50128572 (1-Naphthalenol, methylcarbamate | 1-Naphthalenyl m...) Show SMILES CNC(=O)Oc1cccc2ccccc12 Show InChI InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286921 (CHEMBL352608 | Methanesulfonic acid 6-(2-methyl-pr...) Show SMILES CC(C)CS(=O)(=O)c1cccc(OS(C)(=O)=O)n1 Show InChI InChI=1S/C10H15NO5S2/c1-8(2)7-18(14,15)10-6-4-5-9(11-10)16-17(3,12)13/h4-6,8H,7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	6.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286934 (CHEMBL167540 | Methanesulfonic acid 5-phenyl-1-(pr...) Show SMILES CCCS(=O)(=O)N1N=C(CC1c1ccccc1)OS(C)(=O)=O |c:7| Show InChI InChI=1S/C13H18N2O5S2/c1-3-9-22(18,19)15-12(11-7-5-4-6-8-11)10-13(14-15)20-21(2,16)17/h4-8,12H,3,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286932 (CHEMBL354008 | Methanesulfonic acid 1-allylcarbamo...) Show SMILES CC1(C)CC(OS(C)(=O)=O)=NN1C(=O)NCC=C |c:9| Show InChI InChI=1S/C10H17N3O4S/c1-5-6-11-9(14)13-10(2,3)7-8(12-13)17-18(4,15)16/h5H,1,6-7H2,2-4H3,(H,11,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286925 (CHEMBL166781 | Methanesulfonic acid 1-cyclohexylca...) Show SMILES CC1(C)CC(OS(C)(=O)=O)=NN1C(=O)NC1CCCCC1 |c:9| Show InChI InChI=1S/C13H23N3O4S/c1-13(2)9-11(20-21(3,18)19)15-16(13)12(17)14-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286926 (2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...) Show SMILES [#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl Show InChI InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article	n/a	n/a	5.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286927 (CHEMBL351516 | Methanesulfonic acid 5-isopropyl-1-...) Show SMILES CC(C)NC(=O)N1N=C(CC1C(C)C)OS(C)(=O)=O |c:7| Show InChI InChI=1S/C11H21N3O4S/c1-7(2)9-6-10(18-19(5,16)17)13-14(9)11(15)12-8(3)4/h7-9H,6H2,1-5H3,(H,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286930 (CHEMBL422206 | Methanesulfonic acid 1-isopropylcar...) Show SMILES CC(C)NC(=O)N1N=C(CC1(C)C)OS(C)(=O)=O |c:7| Show InChI InChI=1S/C10H19N3O4S/c1-7(2)11-9(14)13-10(3,4)6-8(12-13)17-18(5,15)16/h7H,6H2,1-5H3,(H,11,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286928 (CHEMBL167353 | Methanesulfonic acid 1-methanesulfo...) Show SMILES CC1(C)CC(OS(C)(=O)=O)=NN1S(C)(=O)=O |c:9| Show InChI InChI=1S/C7H14N2O5S2/c1-7(2)5-6(14-16(4,12)13)8-9(7)15(3,10)11/h5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286929 (CHEMBL168031 | Methanesulfonic acid 1-tert-butylca...) Show SMILES CC(C)(C)NC(=O)N1N=C(CC1(C)C)OS(C)(=O)=O |c:8| Show InChI InChI=1S/C11H21N3O4S/c1-10(2,3)12-9(15)14-11(4,5)7-8(13-14)18-19(6,16)17/h7H2,1-6H3,(H,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286937 (CHEMBL168173 | Methanesulfonic acid 1-carbamoyl-5,...) Show SMILES CC1(C)CC(OS(C)(=O)=O)=NN1C(N)=O |c:9| Show InChI InChI=1S/C7H13N3O4S/c1-7(2)4-5(14-15(3,12)13)9-10(7)6(8)11/h4H2,1-3H3,(H2,8,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286923 (CHEMBL352924 | Methanesulfonic acid 5,5-dimethyl-1...) Show SMILES CCCNS(=O)(=O)N1N=C(CC1(C)C)OS(C)(=O)=O |c:8| Show InChI InChI=1S/C9H19N3O5S2/c1-5-6-10-19(15,16)12-9(2,3)7-8(11-12)17-18(4,13)14/h10H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286924 (3-Methanesulfonyloxy-5,5-dimethyl-4,5-dihydro-pyra...) Show SMILES CCOC(=O)N1N=C(CC1(C)C)OS(C)(=O)=O |c:6| Show InChI InChI=1S/C9H16N2O5S/c1-5-15-8(12)11-9(2,3)6-7(10-11)16-17(4,13)14/h5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286922 (CHEMBL167434 | Methanesulfonic acid 1-isobutyryl-5...) Show SMILES CC(C)C(=O)N1N=C(CC1(C)C)OS(C)(=O)=O |c:6| Show InChI InChI=1S/C10H18N2O4S/c1-7(2)9(13)12-10(3,4)6-8(11-12)16-17(5,14)15/h7H,6H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286920 ((+-)-Trichlorfon | 1-Hydroxy-2,2,2-trichloroethylp...) Show SMILES COP(=O)(OC)C(O)C(Cl)(Cl)Cl Show InChI InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286919 (CHEMBL349933 | Methanesulfonic acid 1-dimethylsulf...) Show SMILES CN(C)S(=O)(=O)N1N=C(CC1c1ccccc1)OS(C)(=O)=O |c:7| Show InChI InChI=1S/C12H17N3O5S2/c1-14(2)22(18,19)15-11(10-7-5-4-6-8-10)9-12(13-15)20-21(3,16)17/h4-8,11H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286936 (CHEMBL164605 | Methanesulfonic acid 1-isopropylsul...) Show SMILES CC(C)NS(=O)(=O)N1N=C(CC1c1ccccc1)OS(C)(=O)=O |c:8| Show InChI InChI=1S/C13H19N3O5S2/c1-10(2)15-23(19,20)16-12(11-7-5-4-6-8-11)9-13(14-16)21-22(3,17)18/h4-8,10,12,15H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286918 (CHEMBL163909 | Methanesulfonic acid 5,5-dimethyl-1...) Show SMILES CC1(C)CC(OS(C)(=O)=O)=NN1C(=O)Nc1ccccc1 |c:9| Show InChI InChI=1S/C13H17N3O4S/c1-13(2)9-11(20-21(3,18)19)15-16(13)12(17)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50286931 (CHEMBL167267 | Methanesulfonic acid 1-isopropylsul...) Show SMILES CC(C)NS(=O)(=O)N1N=C(CC1(C)C)OS(C)(=O)=O |c:8| Show InChI InChI=1S/C9H19N3O5S2/c1-7(2)11-19(15,16)12-9(3,4)6-8(10-12)17-18(5,13)14/h7,11H,6H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.27E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase (AChE)				Bioorg Med Chem Lett 6: 77-80 (1996) Article DOI: 10.1016/0960-894X(95)00562-8 BindingDB Entry DOI: 10.7270/Q27W6C5T
					More data for this Ligand-Target Pair