Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'lerman' and Initial = 'l'   

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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400030 (CHEMBL2177713) Show SMILES CCN(C)C(=O)Oc1cccc2C(CCC(=O)OC)CNc12 Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400024 (CHEMBL2177719) Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCN)c12 Show InChI InChI=1S/C14H21N3O2/c1-3-17(2)14(18)19-12-6-4-5-11-13(12)10(7-8-15)9-16-11/h4-6,10,16H,3,7-9,15H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400017 (CHEMBL2177700) Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(O)=O)c12 Show InChI InChI=1S/C15H20N2O4/c1-3-17(2)15(20)21-12-6-4-5-11-14(12)10(9-16-11)7-8-13(18)19/h4-6,10,16H,3,7-9H2,1-2H3,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400020 (CHEMBL2181475) Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(=O)OC)c12 Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400024 (CHEMBL2177719) Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCN)c12 Show InChI InChI=1S/C14H21N3O2/c1-3-17(2)14(18)19-12-6-4-5-11-13(12)10(7-8-15)9-16-11/h4-6,10,16H,3,7-9,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r| Show InChI InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400018 (CHEMBL2177699) Show SMILES CCOC(=O)CCC1CNc2cccc(OC(=O)N(C)CC)c12 Show InChI InChI=1S/C17H24N2O4/c1-4-19(3)17(21)23-14-8-6-7-13-16(14)12(11-18-13)9-10-15(20)22-5-2/h6-8,12,18H,4-5,9-11H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400027 (CHEMBL2177716) Show SMILES CCN(C)C(=O)Oc1cccc2N(CCC(=O)OC)CCc12 Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-14-7-5-6-13-12(14)8-10-18(13)11-9-15(19)21-3/h5-7H,4,8-11H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400028 (CHEMBL2177715) Show SMILES CCN(C)C(=O)Oc1cccc2NCCc12 Show InChI InChI=1S/C12H16N2O2/c1-3-14(2)12(15)16-11-6-4-5-10-9(11)7-8-13-10/h4-6,13H,3,7-8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400013 (CHEMBL2177704) Show SMILES COC(=O)CCC1CNc2cccc(OC(=O)N(C)c3ccc(OC)cc3)c12 Show InChI InChI=1S/C21H24N2O5/c1-23(15-8-10-16(26-2)11-9-15)21(25)28-18-6-4-5-17-20(18)14(13-22-17)7-12-19(24)27-3/h4-6,8-11,14,22H,7,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400029 (CHEMBL2177714) Show SMILES CN(C)C(=O)Oc1cccc2NCCc12 Show InChI InChI=1S/C11H14N2O2/c1-13(2)11(14)15-10-5-3-4-9-8(10)6-7-12-9/h3-5,12H,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400029 (CHEMBL2177714) Show SMILES CN(C)C(=O)Oc1cccc2NCCc12 Show InChI InChI=1S/C11H14N2O2/c1-13(2)11(14)15-10-5-3-4-9-8(10)6-7-12-9/h3-5,12H,6-7H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM16189 (4-(3-Iodophenyl)-3-oxobutanenitrile | beta-ketonit...) Show SMILES Ic1cccc(CC(=O)CC#N)c1 Show InChI InChI=1S/C10H8INO/c11-9-3-1-2-8(6-9)7-10(13)4-5-12/h1-3,6H,4,7H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400009 (CHEMBL2177708) Show SMILES CCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1 Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-12-6-7-13-11(5-8-15(19)21-3)10-17-14(13)9-12/h6-7,9,11,17H,4-5,8,10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM16185 (3-(3-Chlorophenyl)-3-oxopropanenitrile | beta-keto...) Show SMILES Clc1cccc(c1)C(=O)CC#N Show InChI InChI=1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400013 (CHEMBL2177704) Show SMILES COC(=O)CCC1CNc2cccc(OC(=O)N(C)c3ccc(OC)cc3)c12 Show InChI InChI=1S/C21H24N2O5/c1-23(15-8-10-16(26-2)11-9-15)21(25)28-18-6-4-5-17-20(18)14(13-22-17)7-12-19(24)27-3/h4-6,8-11,14,22H,7,12-13H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400027 (CHEMBL2177716) Show SMILES CCN(C)C(=O)Oc1cccc2N(CCC(=O)OC)CCc12 Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-14-7-5-6-13-12(14)8-10-18(13)11-9-15(19)21-3/h5-7H,4,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400019 (CHEMBL2177698) Show SMILES CCN(C)C(=O)Oc1cccc2N(C)CC(CCC(=O)OC)c12 Show InChI InChI=1S/C17H24N2O4/c1-5-18(2)17(21)23-14-8-6-7-13-16(14)12(11-19(13)3)9-10-15(20)22-4/h6-8,12H,5,9-11H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400025 (CHEMBL2177718) Show SMILES CCN(C)C(=O)Oc1ccc2CCN(CCC(=O)OC)c2c1 Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-13-6-5-12-7-9-18(14(12)11-13)10-8-15(19)21-3/h5-6,11H,4,7-10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400028 (CHEMBL2177715) Show SMILES CCN(C)C(=O)Oc1cccc2NCCc12 Show InChI InChI=1S/C12H16N2O2/c1-3-14(2)12(15)16-11-6-4-5-10-9(11)7-8-13-10/h4-6,13H,3,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400020 (CHEMBL2181475) Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(=O)OC)c12 Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400015 (CHEMBL2177702) Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(N)=O)c12 Show InChI InChI=1S/C15H21N3O3/c1-3-18(2)15(20)21-12-6-4-5-11-14(12)10(9-17-11)7-8-13(16)19/h4-6,10,17H,3,7-9H2,1-2H3,(H2,16,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [600-1159,L699I,K702N,C879S] (Human immunodeficiency virus type 1)	BDBM16189 (4-(3-Iodophenyl)-3-oxobutanenitrile | beta-ketonit...) Show SMILES Ic1cccc(CC(=O)CC#N)c1 Show InChI InChI=1S/C10H8INO/c11-9-3-1-2-8(6-9)7-10(13)4-5-12/h1-3,6H,4,7H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400023 (CHEMBL2177720) Show SMILES CCN(C)C(=O)Oc1cccc2[nH]cc(CCC(=O)OC)c12 Show InChI InChI=1S/C16H20N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,10,17H,4,8-9H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400016 (CHEMBL2177701) Show SMILES CCN(C)C(=O)Oc1cccc2N(C)CC(CCC(O)=O)c12 Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(21)22-13-7-5-6-12-15(13)11(10-18(12)3)8-9-14(19)20/h5-7,11H,4,8-10H2,1-3H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM16187 (3-(3-benzoylphenyl)-3-oxopropanenitrile | 3-Benzoy...) Show SMILES O=C(CC#N)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H11NO2/c17-10-9-15(18)13-7-4-8-14(11-13)16(19)12-5-2-1-3-6-12/h1-8,11H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM16196 (4-(3-Bromo-4-chlorophenyl)-1H-imidazole-5-carboxam...) Show SMILES NC(=O)c1[nH]cnc1-c1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C10H7BrClN3O/c11-6-3-5(1-2-7(6)12)8-9(10(13)16)15-4-14-8/h1-4H,(H2,13,16)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1159,Y780C]/Imidazoleglycerol-phosphate dehydratase [600-1029,Y780C] (Human immunodeficiency virus type 1)	BDBM16189 (4-(3-Iodophenyl)-3-oxobutanenitrile | beta-ketonit...) Show SMILES Ic1cccc(CC(=O)CC#N)c1 Show InChI InChI=1S/C10H8INO/c11-9-3-1-2-8(6-9)7-10(13)4-5-12/h1-3,6H,4,7H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400008 (CHEMBL2177709) Show SMILES CCN(C)C(=O)Oc1ccc2C(CCC(O)=O)CNc2c1 Show InChI InChI=1S/C15H20N2O4/c1-3-17(2)15(20)21-11-5-6-12-10(4-7-14(18)19)9-16-13(12)8-11/h5-6,8,10,16H,3-4,7,9H2,1-2H3,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM16208 (4-(3-Benzoylphenyl)thiazole-5-carboxamide | 4-(3-b...) Show SMILES NC(=O)c1scnc1-c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C17H12N2O2S/c18-17(21)16-14(19-10-22-16)12-7-4-8-13(9-12)15(20)11-5-2-1-3-6-11/h1-10H,(H2,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400031 (CHEMBL2177111) Show SMILES COC(=O)CCC1CN(C)c2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12 Show InChI InChI=1S/C22H26N2O5/c1-23-14-15(5-12-21(25)28-4)19-11-10-18(13-20(19)23)29-22(26)24(2)16-6-8-17(27-3)9-7-16/h6-11,13,15H,5,12,14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400017 (CHEMBL2177700) Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(O)=O)c12 Show InChI InChI=1S/C15H20N2O4/c1-3-17(2)15(20)21-12-6-4-5-11-14(12)10(9-16-11)7-8-13(18)19/h4-6,10,16H,3,7-9H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400023 (CHEMBL2177720) Show SMILES CCN(C)C(=O)Oc1cccc2[nH]cc(CCC(=O)OC)c12 Show InChI InChI=1S/C16H20N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,10,17H,4,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [600-1159,L699I,K702N,C879S] (Human immunodeficiency virus type 1)	BDBM16196 (4-(3-Bromo-4-chlorophenyl)-1H-imidazole-5-carboxam...) Show SMILES NC(=O)c1[nH]cnc1-c1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C10H7BrClN3O/c11-6-3-5(1-2-7(6)12)8-9(10(13)16)15-4-14-8/h1-4H,(H2,13,16)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1159,Y780C]/Imidazoleglycerol-phosphate dehydratase [600-1029,Y780C] (Human immunodeficiency virus type 1)	BDBM16196 (4-(3-Bromo-4-chlorophenyl)-1H-imidazole-5-carboxam...) Show SMILES NC(=O)c1[nH]cnc1-c1ccc(Cl)c(Br)c1 Show InChI InChI=1S/C10H7BrClN3O/c11-6-3-5(1-2-7(6)12)8-9(10(13)16)15-4-14-8/h1-4H,(H2,13,16)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM16191 (3-(3-Iodophenyl)-3-oxopropanamide | beta-ketoamide...) Show SMILES NC(=O)CC(=O)c1cccc(I)c1 Show InChI InChI=1S/C9H8INO2/c10-7-3-1-2-6(4-7)8(12)5-9(11)13/h1-4H,5H2,(H2,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM10750 ((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...) Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r| Show InChI InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM16188 (3-Phenyl-3-oxopropanenitrile | 3-oxo-3-(3-phenylph...) Show SMILES O=C(CC#N)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C15H11NO/c16-10-9-15(17)14-8-4-7-13(11-14)12-5-2-1-3-6-12/h1-8,11H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.34E+4	n/a	n/a	n/a	n/a	7.5	37
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400012 (CHEMBL2177705) Show SMILES COc1ccc(cc1)N(C)C(=O)Oc1cccc2NCC(CCC(O)=O)c12 Show InChI InChI=1S/C20H22N2O5/c1-22(14-7-9-15(26-2)10-8-14)20(25)27-17-5-3-4-16-19(17)13(12-21-16)6-11-18(23)24/h3-5,7-10,13,21H,6,11-12H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400032 (CHEMBL2177712) Show SMILES COC(=O)CCC1CNc2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12 Show InChI InChI=1S/C21H24N2O5/c1-23(15-5-7-16(26-2)8-6-15)21(25)28-17-9-10-18-14(4-11-20(24)27-3)13-22-19(18)12-17/h5-10,12,14,22H,4,11,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400018 (CHEMBL2177699) Show SMILES CCOC(=O)CCC1CNc2cccc(OC(=O)N(C)CC)c12 Show InChI InChI=1S/C17H24N2O4/c1-4-19(3)17(21)23-14-8-6-7-13-16(14)12(11-18-13)9-10-15(20)22-5-2/h6-8,12,18H,4-5,9-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM16203 (2-Amino-4-(3-benzoylphenyl)thiazole-5-carboxamide ...) Show SMILES NC(=O)c1sc(N)nc1-c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C17H13N3O2S/c18-16(22)15-13(20-17(19)23-15)11-7-4-8-12(9-11)14(21)10-5-2-1-3-6-10/h1-9H,(H2,18,22)(H2,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400032 (CHEMBL2177712) Show SMILES COC(=O)CCC1CNc2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12 Show InChI InChI=1S/C21H24N2O5/c1-23(15-5-7-16(26-2)8-6-15)21(25)28-17-9-10-18-14(4-11-20(24)27-3)13-22-19(18)12-17/h5-10,12,14,22H,4,11,13H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM16201 (2-Amino-4-(3-chlorophenyl)thiazole-5-carboxamide |...) Show SMILES NC(=O)c1sc(N)nc1-c1cccc(Cl)c1 Show InChI InChI=1S/C10H8ClN3OS/c11-6-3-1-2-5(4-6)7-8(9(12)15)16-10(13)14-7/h1-4H,(H2,12,15)(H2,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 50: 2370-84 (2007) Article DOI: 10.1021/jm0613121 BindingDB Entry DOI: 10.7270/Q2VM49J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400009 (CHEMBL2177708) Show SMILES CCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1 Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-12-6-7-13-11(5-8-15(19)21-3)10-17-14(13)9-12/h6-7,9,11,17H,4-5,8,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50400019 (CHEMBL2177698) Show SMILES CCN(C)C(=O)Oc1cccc2N(C)CC(CCC(=O)OC)c12 Show InChI InChI=1S/C17H24N2O4/c1-5-18(2)17(21)23-14-8-6-7-13-16(14)12(11-19(13)3)9-10-15(20)22-4/h6-8,12H,5,9-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50400026 (CHEMBL2177717) Show SMILES CCN(C)C(=O)Oc1ccc2CCN(C)c2c1 Show InChI InChI=1S/C13H18N2O2/c1-4-14(2)13(16)17-11-6-5-10-7-8-15(3)12(10)9-11/h5-6,9H,4,7-8H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar Ilan University Curated by ChEMBL					Assay Description Inhibition of equine BuChE after 120 mins by Ellman's method				J Med Chem 55: 10700-15 (2012) Article DOI: 10.1021/jm301411g BindingDB Entry DOI: 10.7270/Q23X87S3
					More data for this Ligand-Target Pair

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