Compile Data Set for Download or QSAR

Found 219 hits with Last Name = 'grellier' and Initial = 'p'   

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
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135635 (2-[2-(Isothiazole-3-carbonyl)-pyrrolidine-1-carbon...) Show SMILES O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1 Show InChI InChI=1S/C21H23N3O4S/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135633 ((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1 Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135637 (1-{(S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-car...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1 Show InChI InChI=1S/C31H35N3O5/c35-29(17-7-14-23-10-3-1-4-11-23)33-18-9-16-28(33)31(37)34-19-8-15-27(34)30(36)26-20-25(39-32-26)22-38-21-24-12-5-2-6-13-24/h1-6,10-13,20,27-28H,7-9,14-19,21-22H2/t27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135634 ((S)-2-[(S)-2-(5-Trimethylsilanyl-isoxazole-3-carbo...) Show SMILES C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 Show InChI InChI=1S/C24H31N3O5Si/c1-33(2,3)21-15-18(25-32-21)22(28)19-11-7-13-26(19)23(29)20-12-8-14-27(20)24(30)31-16-17-9-5-4-6-10-17/h4-6,9-10,15,19-20H,7-8,11-14,16H2,1-3H3/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135630 ((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135630 ((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135633 ((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1 Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of PKD2 ( assessed as residual activity at 1 uM ) by TR-FRET assay				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135633 ((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1 Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135633 ((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1 Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135633 ((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1 Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135636 ((S)-2-[(S)-2-(5-Cyano-isoxazole-3-carbonyl)-pyrrol...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N Show InChI InChI=1S/C22H22N4O5/c23-13-16-12-17(24-31-16)20(27)18-8-4-10-25(18)21(28)19-9-5-11-26(19)22(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12,18-19H,4-5,8-11,14H2/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135630 ((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135630 ((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human; Moderately active				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135635 (2-[2-(Isothiazole-3-carbonyl)-pyrrolidine-1-carbon...) Show SMILES O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1 Show InChI InChI=1S/C21H23N3O4S/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135634 ((S)-2-[(S)-2-(5-Trimethylsilanyl-isoxazole-3-carbo...) Show SMILES C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 Show InChI InChI=1S/C24H31N3O5Si/c1-33(2,3)21-15-18(25-32-21)22(28)19-11-7-13-26(19)23(29)20-12-8-14-27(20)24(30)31-16-17-9-5-4-6-10-17/h4-6,9-10,15,19-20H,7-8,11-14,16H2,1-3H3/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135632 ((S)-2-[(S)-2-(Isoxazole-3-carbonyl)-pyrrolidine-1-...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1 Show InChI InChI=1S/C21H23N3O5/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in human				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135636 ((S)-2-[(S)-2-(5-Cyano-isoxazole-3-carbonyl)-pyrrol...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N Show InChI InChI=1S/C22H22N4O5/c23-13-16-12-17(24-31-16)20(27)18-8-4-10-25(18)21(28)19-9-5-11-26(19)22(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12,18-19H,4-5,8-11,14H2/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135632 ((S)-2-[(S)-2-(Isoxazole-3-carbonyl)-pyrrolidine-1-...) Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1 Show InChI InChI=1S/C21H23N3O5/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50481616 (CHEMBL590127) Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]-[#6]-[#6]-c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r| Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Gif-sur-Yvette Curated by ChEMBL					Assay Description Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis				Bioorg Med Chem 18: 543-56 (2010) Article DOI: 10.1016/j.bmc.2009.12.017 BindingDB Entry DOI: 10.7270/Q2VM4G37
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50481625 (CHEMBL599795) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O Show InChI InChI=1S/C18H28O4/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17(19)20)18(21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H,19,20)(H,21,22)/b14-9+,15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Gif-sur-Yvette Curated by ChEMBL					Assay Description Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis				Bioorg Med Chem 18: 543-56 (2010) Article DOI: 10.1016/j.bmc.2009.12.017 BindingDB Entry DOI: 10.7270/Q2VM4G37
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50481615 (CHEMBL590126) Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]\[#6]=[#6]\c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r| Show InChI InChI=1S/C47H69N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,16-17,19,21-24,30,33,38-39,41,49H,10,14-15,18,20,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b23-16+,34-19+,35-24+/t38-,39-,41-,47?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Gif-sur-Yvette Curated by ChEMBL					Assay Description Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis				Bioorg Med Chem 18: 543-56 (2010) Article DOI: 10.1016/j.bmc.2009.12.017 BindingDB Entry DOI: 10.7270/Q2VM4G37
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135631 (3-[(S)-1-((S)-1-Benzyloxycarbonyl-pyrrolidine-2-ca...) Show SMILES COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC Show InChI InChI=1S/C25H27N3O9/c1-34-23(31)18-19(26-37-21(18)24(32)35-2)20(29)16-10-6-12-27(16)22(30)17-11-7-13-28(17)25(33)36-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi; Moderately active				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50135631 (3-[(S)-1-((S)-1-Benzyloxycarbonyl-pyrrolidine-2-ca...) Show SMILES COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC Show InChI InChI=1S/C25H27N3O9/c1-34-23(31)18-19(26-37-21(18)24(32)35-2)20(29)16-10-6-12-27(16)22(30)17-11-7-13-28(17)25(33)36-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi				Bioorg Med Chem Lett 13: 2875-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D9K
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50481616 (CHEMBL590127) Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]-[#6]-[#6]-c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r| Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Gif-sur-Yvette Curated by ChEMBL					Assay Description Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-substrate-inhibitor complex				Bioorg Med Chem 18: 543-56 (2010) Article DOI: 10.1016/j.bmc.2009.12.017 BindingDB Entry DOI: 10.7270/Q2VM4G37
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50481616 (CHEMBL590127) Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]-[#6]-[#6]-c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r| Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Gif-sur-Yvette Curated by ChEMBL					Assay Description Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-inhibitor complex				Bioorg Med Chem 18: 543-56 (2010) Article DOI: 10.1016/j.bmc.2009.12.017 BindingDB Entry DOI: 10.7270/Q2VM4G37
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50481615 (CHEMBL590126) Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]\[#6]=[#6]\c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r| Show InChI InChI=1S/C47H69N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,16-17,19,21-24,30,33,38-39,41,49H,10,14-15,18,20,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b23-16+,34-19+,35-24+/t38-,39-,41-,47?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Gif-sur-Yvette Curated by ChEMBL					Assay Description Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-substrate-inhibitor complex				Bioorg Med Chem 18: 543-56 (2010) Article DOI: 10.1016/j.bmc.2009.12.017 BindingDB Entry DOI: 10.7270/Q2VM4G37
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50481615 (CHEMBL590126) Show SMILES [#6]-[#6]-[#8]-[#6](=O)C([#6]\[#6]=[#6]\c1ncc(-[#6]-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)n1-[#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=O |r| Show InChI InChI=1S/C47H69N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,16-17,19,21-24,30,33,38-39,41,49H,10,14-15,18,20,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b23-16+,34-19+,35-24+/t38-,39-,41-,47?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Gif-sur-Yvette Curated by ChEMBL					Assay Description Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-inhibitor complex				Bioorg Med Chem 18: 543-56 (2010) Article DOI: 10.1016/j.bmc.2009.12.017 BindingDB Entry DOI: 10.7270/Q2VM4G37
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Saccharomyces cerevisiae (Baker's yeast))	BDBM50067584 ((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...) Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	7.5	n/a
Centre de Recherche de Gif					Assay Description Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Per...				J Enzyme Inhib Med Chem 28: 163-71 (2013) Article DOI: 10.3109/14756366.2011.643302 BindingDB Entry DOI: 10.7270/Q2319TSJ
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50123594 ((7-Chloro-quinolin-4-yl)-{3-[4-(3-dibutylamino-pro...) Show SMILES CCCCN(CCCC)CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 Show InChI InChI=1S/C27H44ClN5/c1-3-5-14-31(15-6-4-2)17-8-18-33-21-19-32(20-22-33)16-7-12-29-26-11-13-30-27-23-24(28)9-10-25(26)27/h9-11,13,23H,3-8,12,14-22H2,1-2H3,(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille II Curated by ChEMBL					Assay Description In vitro inhibition of beta-hematin formation				J Med Chem 46: 542-57 (2003) Article DOI: 10.1021/jm020960r BindingDB Entry DOI: 10.7270/Q27W6DDC
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50075135 ((S)-4-phenyl-1-(3-(pyrrolidine-1-carbonyl)-3,4-dih...) Show SMILES O=C(CCCc1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N2O2/c27-23(14-8-11-19-9-2-1-3-10-19)26-18-21-13-5-4-12-20(21)17-22(26)24(28)25-15-6-7-16-25/h1-5,9-10,12-13,22H,6-8,11,14-18H2/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50075132 (2-(4-Methyl-cyclohexyl)-1-[(S)-3-(pyrrolidine-1-ca...) Show SMILES CC1CCC(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1 |wU:17.19,(-2.79,-4.97,;-2.78,-3.43,;-1.44,-2.66,;-1.44,-1.12,;-2.77,-.35,;-2.77,1.19,;-1.44,1.96,;-.11,1.19,;-1.44,3.5,;-2.77,4.26,;-2.77,5.8,;-4.1,6.57,;-4.12,8.08,;-2.79,8.87,;-1.45,8.1,;-1.44,6.58,;-.11,5.8,;-.11,4.26,;1.22,3.49,;1.22,1.95,;2.55,4.26,;3.95,3.63,;4.99,4.78,;4.21,6.11,;2.71,5.8,;-4.11,-1.12,;-4.11,-2.64,)| Show InChI InChI=1S/C23H32N2O2/c1-17-8-10-18(11-9-17)14-22(26)25-16-20-7-3-2-6-19(20)15-21(25)23(27)24-12-4-5-13-24/h2-3,6-7,17-18,21H,4-5,8-16H2,1H3/t17?,18?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50139469 (CHEMBL3763335) Show SMILES [O-][N+](=O)c1ccc(Cn2cncc2CNc2scc(c2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H16ClN5O2S/c23-17-5-3-16(4-6-17)21-13-31-22(20(21)9-24)26-11-19-10-25-14-27(19)12-15-1-7-18(8-2-15)28(29)30/h1-8,10,13-14,26H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR2301 Curated by ChEMBL					Assay Description Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay				Eur J Med Chem 109: 173-86 (2016) Article DOI: 10.1016/j.ejmech.2015.12.045 BindingDB Entry DOI: 10.7270/Q25B04C6
					More data for this Ligand-Target Pair
Protein farnesyltransferase alpha subunit/subunit beta (Trypanosoma brucei brucei)	BDBM50067584 ((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...) Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Gif					Assay Description Assays were realized on 96-well plates, as described for human FTase with the dansylated peptide Dansyl-GCAIM and the solution contains 15 μL of...				J Enzyme Inhib Med Chem 28: 163-71 (2013) Article DOI: 10.3109/14756366.2011.643302 BindingDB Entry DOI: 10.7270/Q2319TSJ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50139637 (CHEMBL3765675) Show SMILES CCOC(=O)c1sc(N(Cc2cncn2Cc2ccc(cc2)C#N)Cc2cncn2Cc2ccc(cc2)C#N)c(C#N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C38H29ClN8O2S/c1-2-49-38(48)36-35(30-11-13-31(39)14-12-30)34(17-42)37(50-36)45(22-32-18-43-24-46(32)20-28-7-3-26(15-40)4-8-28)23-33-19-44-25-47(33)21-29-9-5-27(16-41)6-10-29/h3-14,18-19,24-25H,2,20-23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UPR2301 Curated by ChEMBL					Assay Description Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay				Eur J Med Chem 109: 173-86 (2016) Article DOI: 10.1016/j.ejmech.2015.12.045 BindingDB Entry DOI: 10.7270/Q25B04C6
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50075126 (5-Phenyl-1-[(S)-3-(pyrrolidine-1-carbonyl)-3,4-dih...) Show SMILES O=C(CCCCc1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C25H30N2O2/c28-24(15-7-4-12-20-10-2-1-3-11-20)27-19-22-14-6-5-13-21(22)18-23(27)25(29)26-16-8-9-17-26/h1-3,5-6,10-11,13-14,23H,4,7-9,12,15-19H2/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50123579 (CHEMBL345958 | [3-(4-{3-[Bis-(4-nitro-benzyl)-amin...) Show SMILES [O-][N+](=O)c1ccc(CN(CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)Cc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C33H38ClN7O4/c34-28-7-12-31-32(13-15-36-33(31)23-28)35-14-1-16-37-19-21-38(22-20-37)17-2-18-39(24-26-3-8-29(9-4-26)40(42)43)25-27-5-10-30(11-6-27)41(44)45/h3-13,15,23H,1-2,14,16-22,24-25H2,(H,35,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille II Curated by ChEMBL					Assay Description In vitro inhibition of beta-hematin formation				J Med Chem 46: 542-57 (2003) Article DOI: 10.1021/jm020960r BindingDB Entry DOI: 10.7270/Q27W6DDC
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50051539 ((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50067584 ((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...) Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Gif					Assay Description Assays were realized on 96-well plates, as described for yeast FTase but octyl-D-glucopyranoside (0.18%) was used instead of CHAPS and the solution c...				J Enzyme Inhib Med Chem 28: 163-71 (2013) Article DOI: 10.3109/14756366.2011.643302 BindingDB Entry DOI: 10.7270/Q2319TSJ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50075134 (4-(4-Chloro-2-methyl-phenoxy)-1-[(S)-3-(pyrrolidin...) Show SMILES Cc1cc(Cl)ccc1OCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C25H29ClN2O3/c1-18-15-21(26)10-11-23(18)31-14-6-9-24(29)28-17-20-8-3-2-7-19(20)16-22(28)25(30)27-12-4-5-13-27/h2-3,7-8,10-11,15,22H,4-6,9,12-14,16-17H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50075129 (1-[(S)-3-(Pyrrolidine-1-carbonyl)-3,4-dihydro-1H-i...) Show SMILES FC(F)(F)c1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1 Show InChI InChI=1S/C23H23F3N2O2/c24-23(25,26)19-9-7-16(8-10-19)13-21(29)28-15-18-6-2-1-5-17(18)14-20(28)22(30)27-11-3-4-12-27/h1-2,5-10,20H,3-4,11-15H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50075128 (CHEMBL138674 | {6-Oxo-6-[(S)-3-(pyrrolidine-1-carb...) Show SMILES O=C(NCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)OCc1ccccc1 Show InChI InChI=1S/C28H35N3O4/c32-26(15-5-2-8-16-29-28(34)35-21-22-11-3-1-4-12-22)31-20-24-14-7-6-13-23(24)19-25(31)27(33)30-17-9-10-18-30/h1,3-4,6-7,11-14,25H,2,5,8-10,15-21H2,(H,29,34)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50075125 (((1S,2S)-2-Phenyl-cyclopropyl)-[(S)-3-(pyrrolidine...) Show SMILES O=C([C@H]1C[C@@H]1c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C24H26N2O2/c27-23(21-15-20(21)17-8-2-1-3-9-17)26-16-19-11-5-4-10-18(19)14-22(26)24(28)25-12-6-7-13-25/h1-5,8-11,20-22H,6-7,12-16H2/t20-,21+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50123587 ((7-Chloro-quinolin-4-yl)-(3-{4-[3-(cyclopropylmeth...) Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCC4CC4)CC3)ccnc2c1 Show InChI InChI=1S/C23H34ClN5/c24-20-5-6-21-22(7-10-27-23(21)17-20)26-9-2-12-29-15-13-28(14-16-29)11-1-8-25-18-19-3-4-19/h5-7,10,17,19,25H,1-4,8-9,11-16,18H2,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille II Curated by ChEMBL					Assay Description In vitro inhibition of beta-hematin formation				J Med Chem 46: 542-57 (2003) Article DOI: 10.1021/jm020960r BindingDB Entry DOI: 10.7270/Q27W6DDC
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50409777 (CHEMBL2111198) Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN[C@@H]4Cc5ccccc5CN4)CC3)ccnc2c1 |r| Show InChI InChI=1S/C28H37ClN6/c29-24-7-8-25-26(9-12-31-27(25)20-24)30-10-3-13-34-15-17-35(18-16-34)14-4-11-32-28-19-22-5-1-2-6-23(22)21-33-28/h1-2,5-9,12,20,28,32-33H,3-4,10-11,13-19,21H2,(H,30,31)/t28-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille II Curated by ChEMBL					Assay Description In vitro inhibition of beta-hematin formation				J Med Chem 46: 542-57 (2003) Article DOI: 10.1021/jm020960r BindingDB Entry DOI: 10.7270/Q27W6DDC
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50075130 (1-[(S)-3-(Pyrrolidine-1-carbonyl)-3,4-dihydro-1H-i...) Show SMILES CC(=O)CCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C21H28N2O3/c1-16(24)8-2-5-11-20(25)23-15-18-10-4-3-9-17(18)14-19(23)21(26)22-12-6-7-13-22/h3-4,9-10,19H,2,5-8,11-15H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase				Bioorg Med Chem Lett 9: 437-42 (1999) BindingDB Entry DOI: 10.7270/Q2348JJR
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50123575 ((3-{4-[3-(Bis-cyclopropylmethyl-amino)-propyl]-pip...) Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(CC4CC4)CC4CC4)CC3)ccnc2c1 Show InChI InChI=1S/C27H40ClN5/c28-24-7-8-25-26(9-11-30-27(25)19-24)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-22-3-4-22)21-23-5-6-23/h7-9,11,19,22-23H,1-6,10,12-18,20-21H2,(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.1	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille II Curated by ChEMBL					Assay Description In vitro inhibition of beta-hematin formation				J Med Chem 46: 542-57 (2003) Article DOI: 10.1021/jm020960r BindingDB Entry DOI: 10.7270/Q27W6DDC
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50131276 (CHEMBL328470 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...) Show SMILES CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO Show InChI InChI=1S/C26H39ClN6O3/c1-20(2)19-33(26(35)18-25(34)30-36)12-4-11-32-15-13-31(14-16-32)10-3-8-28-23-7-9-29-24-17-21(27)5-6-22(23)24/h5-7,9,17,20,36H,3-4,8,10-16,18-19H2,1-2H3,(H,28,29)(H,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 2 Curated by ChEMBL					Assay Description Inhibitory activity against mammalian Aminopeptidase N (APN)				Bioorg Med Chem Lett 13: 2659-62 (2003) BindingDB Entry DOI: 10.7270/Q20G3KPK
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50123577 (CHEMBL152862 | Cyclopropanecarboxylic acid (3-{4-[...) Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)C4CC4)CC3)ccnc2c1 Show InChI InChI=1S/C23H32ClN5O/c24-19-5-6-20-21(7-10-26-22(20)17-19)25-8-1-11-28-13-15-29(16-14-28)12-2-9-27-23(30)18-3-4-18/h5-7,10,17-18H,1-4,8-9,11-16H2,(H,25,26)(H,27,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille II Curated by ChEMBL					Assay Description In vitro inhibition of beta-hematin formation				J Med Chem 46: 542-57 (2003) Article DOI: 10.1021/jm020960r BindingDB Entry DOI: 10.7270/Q27W6DDC
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50123561 (CHEMBL149751 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...) Show SMILES COc1ccc(cc1)C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 Show InChI InChI=1S/C27H34ClN5O2/c1-35-23-7-4-21(5-8-23)27(34)31-12-3-15-33-18-16-32(17-19-33)14-2-11-29-25-10-13-30-26-20-22(28)6-9-24(25)26/h4-10,13,20H,2-3,11-12,14-19H2,1H3,(H,29,30)(H,31,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34.2	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille II Curated by ChEMBL					Assay Description In vitro inhibition of beta-hematin formation				J Med Chem 46: 542-57 (2003) Article DOI: 10.1021/jm020960r BindingDB Entry DOI: 10.7270/Q27W6DDC
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50123569 (CHEMBL357111 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 Show InChI InChI=1S/C26H31ClN6O3/c27-21-5-8-23-24(9-12-29-25(23)19-21)28-10-1-13-31-15-17-32(18-16-31)14-2-11-30-26(34)20-3-6-22(7-4-20)33(35)36/h3-9,12,19H,1-2,10-11,13-18H2,(H,28,29)(H,30,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35.6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille II Curated by ChEMBL					Assay Description In vitro inhibition of beta-hematin formation				J Med Chem 46: 542-57 (2003) Article DOI: 10.1021/jm020960r BindingDB Entry DOI: 10.7270/Q27W6DDC
					More data for this Ligand-Target Pair

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