Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'vincent' and Initial = 'la'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50030332 ((R)-(2-Methoxy-benzyl)-((S)-2-phenyl-piperidin-3-y...) Show SMILES COc1ccccc1CNC1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P (NK-1) receptor in human IM-9 cell using [125I]-BH-SP				J Med Chem 37: 4263-6 (1995) BindingDB Entry DOI: 10.7270/Q24J0D44
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014174 (2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole | CHE...) Show SMILES C(c1cnc[nH]1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C13H11N3S/c1-2-4-10(5-3-1)12-8-17-13(16-12)6-11-7-14-9-15-11/h1-5,7-9H,6H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Antibacterial activity against Escherichia coli DHFR				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030333 ((3S,6S,7S)-3-(2-Methoxy-phenyl)-7-phenyl-1,8-diaza...) Show SMILES COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)NC1 Show InChI InChI=1S/C22H28N2O/c1-25-20-11-6-5-10-19(20)18-12-14-22(24-16-18)13-7-15-23-21(22)17-8-3-2-4-9-17/h2-6,8-11,18,21,23-24H,7,12-16H2,1H3/t18-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P (NK-1) receptor in human IM-9 cell using [125I]-BH-SP				J Med Chem 37: 4263-6 (1995) BindingDB Entry DOI: 10.7270/Q24J0D44
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50279827 (2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydr...) Show SMILES O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H22N2O4/c25-14-18-10-6-12-23(18)21(26)20-13-17-9-4-5-11-19(17)24(20)22(27)28-15-16-7-2-1-3-8-16/h1-5,7-9,11,14,18,20H,6,10,12-13,15H2/t18-,20?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.40	n/a	n/a	n/a	n/a	0.000300	1.40E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)				Bioorg Med Chem Lett 1: 585-590 (1991) Article DOI: 10.1016/S0960-894X(01)81156-2 BindingDB Entry DOI: 10.7270/Q2SQ909F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Mus musculus)	BDBM50279826 ((1S,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3	n/a	n/a	n/a	n/a	0.000700	2.30E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)				Bioorg Med Chem Lett 1: 585-590 (1991) Article DOI: 10.1016/S0960-894X(01)81156-2 BindingDB Entry DOI: 10.7270/Q2SQ909F
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50279825 ((1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3	n/a	n/a	n/a	n/a	0.00200	7.00E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)				Bioorg Med Chem Lett 1: 585-590 (1991) Article DOI: 10.1016/S0960-894X(01)81156-2 BindingDB Entry DOI: 10.7270/Q2SQ909F
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50279825 ((1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding inhibition against Prolyl Endopeptidase (PEP).				Bioorg Med Chem Lett 1: 585-590 (1991) Article DOI: 10.1016/S0960-894X(01)81156-2 BindingDB Entry DOI: 10.7270/Q2SQ909F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50013039 (CHEMBL40260 | N-[4-(1H-Indol-3-yl)-thiazol-2-ylmet...) Show SMILES NC(=N)NCc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C13H13N5S/c14-13(15)17-6-12-18-11(7-19-12)9-5-16-10-4-2-1-3-8(9)10/h1-5,7,16H,6H2,(H4,14,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of dihydrofolate reductase of Escherichia coli				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50013043 (3-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014600 (3-[2-(1H-Imidazol-4-ylmethyl)-thiazol-4-yl]-1H-ind...) Show SMILES C(c1cnc[nH]1)c1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C15H12N4S/c1-2-4-13-11(3-1)12(7-17-13)14-8-20-15(19-14)5-10-6-16-9-18-10/h1-4,6-9,17H,5H2,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014601 (2-(2-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1ncc(Cc2nc(cs2)-c2ccccc2)[nH]1 Show InChI InChI=1S/C14H13N3S/c1-10-15-8-12(16-10)7-14-17-13(9-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Escherichia coli dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50013045 (3-[2-(2-Methyl-imidazol-1-ylmethyl)-thiazol-4-yl]-...) Show SMILES Cc1nccn1Cc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H14N4S/c1-11-17-6-7-20(11)9-16-19-15(10-21-16)13-8-18-14-5-3-2-4-12(13)14/h2-8,10,18H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014406 (2-Me 5-HT | 2-Methyl-5-hydroxytryptamine | 2-methy...) Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN Show InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Escherichia coli dihydrofolate reductase.				J Med Chem 33: 13-6 (1990) BindingDB Entry DOI: 10.7270/Q29S1RNB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030331 ((2S,5R,6S)-2-(2-Methoxy-phenyl)-6-phenyl-1,7-diaza...) Show SMILES COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)N1 Show InChI InChI=1S/C21H26N2O/c1-24-19-11-6-5-10-17(19)18-12-14-21(23-18)13-7-15-22-20(21)16-8-3-2-4-9-16/h2-6,8-11,18,20,22-23H,7,12-15H2,1H3/t18-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P (NK-1) receptor in human IM-9 cell using [125I]-BH-SP				J Med Chem 37: 4263-6 (1995) BindingDB Entry DOI: 10.7270/Q24J0D44
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034001 (3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...) Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3	PDB MMDB 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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034002 (3-(1-Benzyl-piperidin-4-yl)-1-(2-methyl-benzothiaz...) Show SMILES Cc1nc2ccc(cc2s1)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H26N2OS/c1-17-24-21-9-8-20(15-23(21)27-17)22(26)10-7-18-11-13-25(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3	PDB MMDB 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	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034003 (3-(1-Benzyl-piperidin-4-yl)-1-(2-methyl-1H-benzoim...) Show SMILES Cc1nc2ccc(cc2[nH]1)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H27N3O/c1-17-24-21-9-8-20(15-22(21)25-17)23(27)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,25)	PDB MMDB 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	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034000 (3-(1-Benzyl-piperidin-4-yl)-1-(2,3-dihydro-benzo[1...) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C23H27NO3/c25-21(20-7-9-22-23(16-20)27-15-14-26-22)8-6-18-10-12-24(13-11-18)17-19-4-2-1-3-5-19/h1-5,7,9,16,18H,6,8,10-15,17H2	PDB MMDB 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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034004 (3-(1-Benzyl-piperidin-4-yl)-1-(2-phenyl-1H-benzoim...) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2nc([nH]c2c1)-c1ccccc1 Show InChI InChI=1S/C28H29N3O/c32-27(14-11-21-15-17-31(18-16-21)20-22-7-3-1-4-8-22)24-12-13-25-26(19-24)30-28(29-25)23-9-5-2-6-10-23/h1-10,12-13,19,21H,11,14-18,20H2,(H,29,30)	PDB MMDB 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	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50033999 (3-(1-Benzyl-piperidin-4-yl)-1-phenyl-propan-1-one;...) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C21H25NO/c23-21(20-9-5-2-6-10-20)12-11-18-13-15-22(16-14-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2	PDB MMDB 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	305	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50034004 (3-(1-Benzyl-piperidin-4-yl)-1-(2-phenyl-1H-benzoim...) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2nc([nH]c2c1)-c1ccccc1 Show InChI InChI=1S/C28H29N3O/c32-27(14-11-21-15-17-31(18-16-21)20-22-7-3-1-4-8-22)24-12-13-25-26(19-24)30-28(29-25)23-9-5-2-6-10-23/h1-10,12-13,19,21H,11,14-18,20H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50034002 (3-(1-Benzyl-piperidin-4-yl)-1-(2-methyl-benzothiaz...) Show SMILES Cc1nc2ccc(cc2s1)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H26N2OS/c1-17-24-21-9-8-20(15-23(21)27-17)22(26)10-7-18-11-13-25(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50034001 (3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...) Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50033999 (3-(1-Benzyl-piperidin-4-yl)-1-phenyl-propan-1-one;...) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C21H25NO/c23-21(20-9-5-2-6-10-20)12-11-18-13-15-22(16-14-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50034000 (3-(1-Benzyl-piperidin-4-yl)-1-(2,3-dihydro-benzo[1...) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C23H27NO3/c25-21(20-7-9-22-23(16-20)27-15-14-26-22)8-6-18-10-12-24(13-11-18)17-19-4-2-1-3-5-19/h1-5,7,9,16,18H,6,8,10-15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50034003 (3-(1-Benzyl-piperidin-4-yl)-1-(2-methyl-1H-benzoim...) Show SMILES Cc1nc2ccc(cc2[nH]1)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H27N3O/c1-17-24-21-9-8-20(15-22(21)25-17)23(27)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50279827 (2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydr...) Show SMILES O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H22N2O4/c25-14-18-10-6-12-23(18)21(26)20-13-17-9-4-5-11-19(17)24(20)22(27)28-15-16-7-2-1-3-8-16/h1-5,7-9,11,14,18,20H,6,10,12-13,15H2/t18-,20?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	1.40E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)				Bioorg Med Chem Lett 1: 585-590 (1991) Article DOI: 10.1016/S0960-894X(01)81156-2 BindingDB Entry DOI: 10.7270/Q2SQ909F
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50279826 ((1S,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.000700	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the enzyme kinetic data (koff) for binding inhibition against Prolyl Endopeptidase (PEP)				Bioorg Med Chem Lett 1: 585-590 (1991) Article DOI: 10.1016/S0960-894X(01)81156-2 BindingDB Entry DOI: 10.7270/Q2SQ909F
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50279826 ((1S,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	2.30E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)				Bioorg Med Chem Lett 1: 585-590 (1991) Article DOI: 10.1016/S0960-894X(01)81156-2 BindingDB Entry DOI: 10.7270/Q2SQ909F
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50279827 (2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydr...) Show SMILES O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H22N2O4/c25-14-18-10-6-12-23(18)21(26)20-13-17-9-4-5-11-19(17)24(20)22(27)28-15-16-7-2-1-3-8-16/h1-5,7-9,11,14,18,20H,6,10,12-13,15H2/t18-,20?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.000300	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the enzyme kinetic data (koff) for binding inhibition against Prolyl Endopeptidase (PEP)				Bioorg Med Chem Lett 1: 585-590 (1991) Article DOI: 10.1016/S0960-894X(01)81156-2 BindingDB Entry DOI: 10.7270/Q2SQ909F
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Mus musculus)	BDBM50279825 ((1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.00200	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the enzyme kinetic data (koff) for binding inhibition against Prolyl Endopeptidase (PEP)				Bioorg Med Chem Lett 1: 585-590 (1991) Article DOI: 10.1016/S0960-894X(01)81156-2 BindingDB Entry DOI: 10.7270/Q2SQ909F
					More data for this Ligand-Target Pair