Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'ahmed' and Initial = 'w'   

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 (Electrophorus electricus (Electric eel))	BDBM50282171 (CHEMBL4176742) Show SMILES Cc1cc(N2CCN(CC2)c2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)n2ncnc2n1 Show InChI InChI=1S/C20H18ClF3N10/c1-12-9-15(34-18(27-12)25-11-26-34)32-5-7-33(8-6-32)19-30-16(21)29-17(31-19)28-14-4-2-3-13(10-14)20(22,23)24/h2-4,9-11H,5-8H2,1H3,(H,28,29,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins followed by substra...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282177 (CHEMBL4172159) Show SMILES COc1ccc(Nc2nc(Cl)nc(n2)N2CCN(CC2)c2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C20H21ClN10O/c1-13-11-16(31-19(24-13)22-12-23-31)29-7-9-30(10-8-29)20-27-17(21)26-18(28-20)25-14-3-5-15(32-2)6-4-14/h3-6,11-12H,7-10H2,1-2H3,(H,25,26,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins followed by substra...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM50377587 (CHEMBL404394) Show SMILES Cc1cccc(c1)C(=O)NNc1c2ccccc2nc2c(C)c(C)ccc12 Show InChI InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377587 (CHEMBL404394) Show SMILES Cc1cccc(c1)C(=O)NNc1c2ccccc2nc2c(C)c(C)ccc12 Show InChI InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				Eur J Med Chem 90: 124-69 (2015) Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase (TS) in human				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
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	56	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282171 (CHEMBL4176742) Show SMILES Cc1cc(N2CCN(CC2)c2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)n2ncnc2n1 Show InChI InChI=1S/C20H18ClF3N10/c1-12-9-15(34-18(27-12)25-11-26-34)32-5-7-33(8-6-32)19-30-16(21)29-17(31-19)28-14-4-2-3-13(10-14)20(22,23)24/h2-4,9-11H,5-8H2,1H3,(H,28,29,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282177 (CHEMBL4172159) Show SMILES COc1ccc(Nc2nc(Cl)nc(n2)N2CCN(CC2)c2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C20H21ClN10O/c1-13-11-16(31-19(24-13)22-12-23-31)29-7-9-30(10-8-29)20-27-17(21)26-18(28-20)25-14-3-5-15(32-2)6-4-14/h3-6,11-12H,7-10H2,1-2H3,(H,25,26,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of GAR transformylase in hog liver				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50448067 (CHEMBL3115730) Show SMILES COc1ccc(\C=C2/CCCc3c2nc(C)nc3-c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C26H28N2O4/c1-16-27-25-18(13-17-9-11-21(29-2)23(14-17)31-4)7-6-8-20(25)26(28-16)19-10-12-22(30-3)24(15-19)32-5/h9-15H,6-8H2,1-5H3/b18-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of DHFR (unknown origin)				Eur J Med Chem 90: 124-69 (2015) Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282182 (CHEMBL4161552) Show SMILES Cc1cc(N2CCN(CC2)c2nc(Cl)nc(Nc3ccc(F)cc3)n2)n2ncnc2n1 Show InChI InChI=1S/C19H18ClFN10/c1-12-10-15(31-18(24-12)22-11-23-31)29-6-8-30(9-7-29)19-27-16(20)26-17(28-19)25-14-4-2-13(21)3-5-14/h2-5,10-11H,6-9H2,1H3,(H,25,26,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of GAR transformylase in hog liver				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282181 (CHEMBL4168812) Show SMILES Cc1cc(N2CCN(CC2)c2nc(Cl)nc(Nc3ccccc3F)n2)n2ncnc2n1 Show InChI InChI=1S/C19H18ClFN10/c1-12-10-15(31-18(24-12)22-11-23-31)29-6-8-30(9-7-29)19-27-16(20)26-17(28-19)25-14-5-3-2-4-13(14)21/h2-5,10-11H,6-9H2,1H3,(H,25,26,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	286	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282187 (CHEMBL4173299) Show SMILES Cc1cc(N2CCN(CC2)c2nc(Nc3cccc(c3)C(F)(F)F)nc(Nc3ccc(F)c(Cl)c3)n2)n2ncnc2n1 Show InChI InChI=1S/C26H22ClF4N11/c1-15-11-21(42-24(34-15)32-14-33-42)40-7-9-41(10-8-40)25-38-22(35-17-4-2-3-16(12-17)26(29,30)31)37-23(39-25)36-18-5-6-20(28)19(27)13-18/h2-6,11-14H,7-10H2,1H3,(H2,35,36,37,38,39)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282185 (CHEMBL4177486) Show SMILES Fc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)cc1Cl Show InChI InChI=1S/C16H9Cl2F4N5/c17-11-7-10(4-5-12(11)19)24-15-26-13(18)25-14(27-15)23-9-3-1-2-8(6-9)16(20,21)22/h1-7H,(H2,23,24,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	432	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) in WIL2 cells				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282184 (CHEMBL4175196) Show SMILES Fc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)c(F)c1 Show InChI InChI=1S/C16H9ClF5N5/c17-13-25-14(23-10-3-1-2-8(6-10)16(20,21)22)27-15(26-13)24-12-5-4-9(18)7-11(12)19/h1-7H,(H2,23,24,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50448066 (CHEMBL3115731) Show SMILES COc1cc(\C=C2/CCCc3c2nc(C)nc3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C28H32N2O6/c1-16-29-25-18(11-17-12-21(31-2)27(35-6)22(13-17)32-3)9-8-10-20(25)26(30-16)19-14-23(33-4)28(36-7)24(15-19)34-5/h11-15H,8-10H2,1-7H3/b18-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of DHFR (unknown origin)				Eur J Med Chem 90: 124-69 (2015) Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282186 (CHEMBL4170265) Show SMILES Fc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)cc1 Show InChI InChI=1S/C16H10ClF4N5/c17-13-24-14(22-11-6-4-10(18)5-7-11)26-15(25-13)23-12-3-1-2-9(8-12)16(19,20)21/h1-8H,(H2,22,23,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	526	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282188 (CHEMBL4165386) Show SMILES Cc1ccc(Nc2nc(Nc3cccc(c3)C(F)(F)F)nc(n2)N2CCN(CC2)c2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C27H26F3N11/c1-17-6-8-20(9-7-17)34-23-36-24(35-21-5-3-4-19(15-21)27(28,29)30)38-26(37-23)40-12-10-39(11-13-40)22-14-18(2)33-25-31-16-32-41(22)25/h3-9,14-16H,10-13H2,1-2H3,(H2,34,35,36,37,38)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	558	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase (TS) in human				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282180 (CHEMBL4166865) Show SMILES COc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)cc1 Show InChI InChI=1S/C17H13ClF3N5O/c1-27-13-7-5-11(6-8-13)22-15-24-14(18)25-16(26-15)23-12-4-2-3-10(9-12)17(19,20)21/h2-9H,1H3,(H2,22,23,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	591	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of GAR transformylase in hog liver				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282175 (CHEMBL4162346) Show SMILES Cc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)cc1 Show InChI InChI=1S/C17H13ClF3N5/c1-10-5-7-12(8-6-10)22-15-24-14(18)25-16(26-15)23-13-4-2-3-11(9-13)17(19,20)21/h2-9H,1H3,(H2,22,23,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	672	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282178 (CHEMBL4174114) Show SMILES COc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1 Show InChI InChI=1S/C16H12Cl2FN5O/c1-25-11-5-2-9(3-6-11)20-15-22-14(18)23-16(24-15)21-10-4-7-13(19)12(17)8-10/h2-8H,1H3,(H2,20,21,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	705	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282172 (CHEMBL4161947) Show SMILES Cc1cc(N2CCN(CC2)c2nc(Nc3ccc(F)cc3)nc(Nc3cccc(c3)C(F)(F)F)n2)n2ncnc2n1 Show InChI InChI=1S/C26H23F4N11/c1-16-13-21(41-24(33-16)31-15-32-41)39-9-11-40(12-10-39)25-37-22(34-19-7-5-18(27)6-8-19)36-23(38-25)35-20-4-2-3-17(14-20)26(28,29)30/h2-8,13-15H,9-12H2,1H3,(H2,34,35,36,37,38)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	724	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase (TS) in human				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282176 (CHEMBL4169871) Show SMILES Cc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(n2)N2CCN(CC2)c2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C26H25ClFN11/c1-16-3-5-18(6-4-16)32-23-34-24(33-19-7-8-21(28)20(27)14-19)36-26(35-23)38-11-9-37(10-12-38)22-13-17(2)31-25-29-15-30-39(22)25/h3-8,13-15H,9-12H2,1-2H3,(H2,32,33,34,35,36)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	859	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282173 (CHEMBL4176666) Show SMILES Cc1cc(N2CCN(CC2)c2nc(NC3CC3)nc(Nc3cccc(c3)C(F)(F)F)n2)n2ncnc2n1 Show InChI InChI=1S/C23H24F3N11/c1-14-11-18(37-21(29-14)27-13-28-37)35-7-9-36(10-8-35)22-33-19(30-16-5-6-16)32-20(34-22)31-17-4-2-3-15(12-17)23(24,25)26/h2-4,11-13,16H,5-10H2,1H3,(H2,30,31,32,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	903	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282174 (CHEMBL4163412) Show SMILES Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1 Show InChI InChI=1S/C16H12Cl2FN5/c1-9-2-4-10(5-3-9)20-15-22-14(18)23-16(24-15)21-11-6-7-13(19)12(17)8-11/h2-8H,1H3,(H2,20,21,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	917	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50282182 (CHEMBL4161552) Show SMILES Cc1cc(N2CCN(CC2)c2nc(Cl)nc(Nc3ccc(F)cc3)n2)n2ncnc2n1 Show InChI InChI=1S/C19H18ClFN10/c1-12-10-15(31-18(24-12)22-11-23-31)29-6-8-30(9-7-29)19-27-16(20)26-17(28-19)25-14-4-2-13(21)3-5-14/h2-5,10-11H,6-9H2,1H3,(H,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of GAR transformylase in hog liver				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50062329 (CHEMBL3397276) Show SMILES Clc1cc(Nc2ncnc3ccc(NC4=NC[C@@H](COc5ccccc5)O4)cc23)ccc1OCc1nccs1 |r,t:14| Show InChI InChI=1S/C28H23ClN6O3S/c29-23-13-19(7-9-25(23)37-16-26-30-10-11-39-26)34-27-22-12-18(6-8-24(22)32-17-33-27)35-28-31-14-21(38-28)15-36-20-4-2-1-3-5-20/h1-13,17,21H,14-16H2,(H,31,35)(H,32,33,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				Eur J Med Chem 90: 124-69 (2015) Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233139 (2-Nitrobenzohydrazide | Mr-I-53b) Show SMILES NNC(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233141 (1,2-Diphenylhydrazine | Mr-II-10) Show SMILES N(Nc1ccccc1)c1ccccc1 Show InChI InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50062292 (CHEMBL3397275) Show SMILES Clc1cc(Nc2ncnc3ccc(NC4=NC[C@H](COc5ccccc5)O4)cc23)ccc1OCc1nccs1 |r,t:14| Show InChI InChI=1S/C28H23ClN6O3S/c29-23-13-19(7-9-25(23)37-16-26-30-10-11-39-26)34-27-22-12-18(6-8-24(22)32-17-33-27)35-28-31-14-21(38-28)15-36-20-4-2-1-3-5-20/h1-13,17,21H,14-16H2,(H,31,35)(H,32,33,34)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				Eur J Med Chem 90: 124-69 (2015) Article DOI: 10.1016/j.ejmech.2014.10.084 BindingDB Entry DOI: 10.7270/Q2QZ2CNM
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233138 (Butanohydrazide | Mr-I-33) Show SMILES CCCC(=O)NN Show InChI InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50282183 (CHEMBL4167322) Show SMILES FC(F)(F)c1cccc(Nc2nc(NC3CC3)nc(n2)N2CCNCC2)c1 Show InChI InChI=1S/C17H20F3N7/c18-17(19,20)11-2-1-3-13(10-11)23-15-24-14(22-12-4-5-12)25-16(26-15)27-8-6-21-7-9-27/h1-3,10,12,21H,4-9H2,(H2,22,23,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM233139 (2-Nitrobenzohydrazide | Mr-I-53b) Show SMILES NNC(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM233140 (2-Nitrobenzohydrazide | Mr-I-179) Show SMILES NNC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)	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	1.35E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50565796 (CHEMBL4780773) Show SMILES COc1ccc(cc1)-c1nc(co1)C(=O)N1CCS\C1=N\C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human U-937 cells derived PDE4B using [3H] cAMP as substrate measured after 30 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112795 BindingDB Entry DOI: 10.7270/Q2MK6HN2
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM233138 (Butanohydrazide | Mr-I-33) Show SMILES CCCC(=O)NN Show InChI InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)	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	1.40E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233142 (1,2-Dipyridinylhydrazine | Mr-II-80) Show SMILES N(Nc1ccncc1)c1ccncc1 Show InChI InChI=1S/C10H10N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,(H,11,13)(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50001676 (CHEMBL3237776 | Mr-I-27) Show SMILES COc1ccccc1C(=O)NN Show InChI InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50282177 (CHEMBL4172159) Show SMILES COc1ccc(Nc2nc(Cl)nc(n2)N2CCN(CC2)c2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C20H21ClN10O/c1-13-11-16(31-19(24-13)22-12-23-31)29-7-9-30(10-8-29)20-27-17(21)26-18(28-20)25-14-3-5-15(32-2)6-4-14/h3-6,11-12H,7-10H2,1-2H3,(H,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase (TS) in human				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233140 (2-Nitrobenzohydrazide | Mr-I-179) Show SMILES NNC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50282178 (CHEMBL4174114) Show SMILES COc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1 Show InChI InChI=1S/C16H12Cl2FN5O/c1-25-11-5-2-9(3-6-11)20-15-22-14(18)23-16(24-15)21-10-4-7-13(19)12(17)8-10/h2-8H,1H3,(H2,20,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50001676 (CHEMBL3237776 | Mr-I-27) Show SMILES COc1ccccc1C(=O)NN Show InChI InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50282188 (CHEMBL4165386) Show SMILES Cc1ccc(Nc2nc(Nc3cccc(c3)C(F)(F)F)nc(n2)N2CCN(CC2)c2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C27H26F3N11/c1-17-6-8-20(9-7-17)34-23-36-24(35-21-5-3-4-19(15-21)27(28,29)30)38-26(37-23)40-12-10-39(11-13-40)22-14-18(2)33-25-31-16-32-41(22)25/h3-9,14-16H,10-13H2,1-2H3,(H2,34,35,36,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) in WIL2 cells				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50282171 (CHEMBL4176742) Show SMILES Cc1cc(N2CCN(CC2)c2nc(Cl)nc(Nc3cccc(c3)C(F)(F)F)n2)n2ncnc2n1 Show InChI InChI=1S/C20H18ClF3N10/c1-12-9-15(34-18(27-12)25-11-26-34)32-5-7-33(8-6-32)19-30-16(21)29-17(31-19)28-14-4-2-3-13(10-14)20(22,23)24/h2-4,9-11H,5-8H2,1H3,(H,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50282173 (CHEMBL4176666) Show SMILES Cc1cc(N2CCN(CC2)c2nc(NC3CC3)nc(Nc3cccc(c3)C(F)(F)F)n2)n2ncnc2n1 Show InChI InChI=1S/C23H24F3N11/c1-14-11-18(37-21(29-14)27-13-28-37)35-7-9-36(10-8-35)22-33-19(30-16-5-6-16)32-20(34-22)31-17-4-2-3-15(12-17)23(24,25)26/h2-4,11-13,16H,5-10H2,1H3,(H2,30,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Millia Islamia (Central University) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...				Eur J Med Chem 136: 36-51 (2017) Article DOI: 10.1016/j.ejmech.2017.04.064 BindingDB Entry DOI: 10.7270/Q2G73H9R
					More data for this Ligand-Target Pair

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