Compile Data Set for Download or QSAR

Found 282 hits with Last Name = 'smith' and Initial = 'cp'   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15517 ((3R, 4R)-1-(6-Phenylpyrimidin-4-yl)-4-(2, 4, 5-tri...) Show SMILES N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r| Show InChI InChI=1S/C21H19F3N4/c22-16-9-18(24)17(23)8-15(16)14-6-7-28(11-19(14)25)21-10-20(26-12-27-21)13-4-2-1-3-5-13/h1-5,8-10,12,14,19H,6-7,11,25H2/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 22: 2464-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.010 BindingDB Entry DOI: 10.7270/Q2SX6F7V
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50379784 (CHEMBL2011537) Show SMILES N[C@@H]1CCN(C1)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r| Show InChI InChI=1S/C21H22N4O2/c22-17-8-10-24(14-17)20-7-6-18(13-23-20)25-11-9-19(12-21(25)26)27-15-16-4-2-1-3-5-16/h1-7,9,11-13,17H,8,10,14-15,22H2/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Antagonist activity at human MCH1R expressed in forskolin-stimulated CHO cells assessed as inhibition of MCH-induced cAMP accumulation after 90 mins				Bioorg Med Chem Lett 22: 2464-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.010 BindingDB Entry DOI: 10.7270/Q2SX6F7V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10972 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.00029-0.001				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362677 (CHEMBL1939618) Show SMILES Cn1c(OCC(C)(C)C(O)=O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C25H24N4O4/c1-25(2,23(31)32)15-33-24-28-27-21(29(24)3)17-10-12-20(13-11-17)26-22(30)19-9-8-16-6-4-5-7-18(16)14-19/h4-14H,15H2,1-3H3,(H,26,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia 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
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50452855 (Isoptpo Hyoscine | Scopolamine) Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG 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
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the absence of Zn				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50452855 (Isoptpo Hyoscine | Scopolamine) Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG 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
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the presence of Zn				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50048608 (CHEMBL154488 | Indol-1-yl-pyridin-4-yl-amine) Show SMILES N(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C13H11N3/c1-2-4-13-11(3-1)7-10-16(13)15-12-5-8-14-9-6-12/h1-10H,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10972 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362678 (CHEMBL1939480) Show SMILES CCC(Sc1nnc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C20H18Cl2N4O3S/c1-3-16(19(28)29)30-20-25-24-17(26(20)2)11-4-7-13(8-5-11)23-18(27)12-6-9-14(21)15(22)10-12/h4-10,16H,3H2,1-2H3,(H,23,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362683 (CHEMBL1939476) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3cc4ccccc4s3)cc2)n1C)C(O)=O Show InChI InChI=1S/C21H18N4O3S2/c1-12(20(27)28)29-21-24-23-18(25(21)2)13-7-9-15(10-8-13)22-19(26)17-11-14-5-3-4-6-16(14)30-17/h3-12H,1-2H3,(H,22,26)(H,27,28)	PDB UniProtKB/SwissProt 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
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50379784 (CHEMBL2011537) Show SMILES N[C@@H]1CCN(C1)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r| Show InChI InChI=1S/C21H22N4O2/c22-17-8-10-24(14-17)20-7-6-18(13-23-20)25-11-9-19(12-21(25)26)27-15-16-4-2-1-3-5-16/h1-7,9,11-13,17H,8,10,14-15,22H2/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Antagonist activity at human MCH1R expressed in CHO cells assessed as inhibition of MCH-induced response				Bioorg Med Chem Lett 22: 2464-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.010 BindingDB Entry DOI: 10.7270/Q2SX6F7V
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362685 (CHEMBL1939475) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C23H20N4O3S/c1-14(22(29)30)31-23-26-25-20(27(23)2)16-9-11-19(12-10-16)24-21(28)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3,(H,24,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50048589 (CHEMBL152842 | Indol-1-yl-methyl-pyridin-4-yl-amin...) Show SMILES CN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C14H13N3/c1-16(13-6-9-15-10-7-13)17-11-8-12-4-2-3-5-14(12)17/h2-11H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50290392 (Benzyl-carbamic acid 1-[(3-fluoro-pyridin-4-yl)-pr...) Show SMILES CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NCc3ccccc3)ccc12 Show InChI InChI=1S/C25H25FN4O2/c1-3-13-29(24-11-12-27-16-22(24)26)30-17-18(2)21-14-20(9-10-23(21)30)32-25(31)28-15-19-7-5-4-6-8-19/h4-12,14,16-17H,3,13,15H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.01-0.069				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362675 (CHEMBL1939620) Show SMILES Cn1c(OCC(C)(C)C(N)=O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C25H25N5O3/c1-25(2,23(26)32)15-33-24-29-28-21(30(24)3)17-10-12-20(13-11-17)27-22(31)19-9-8-16-6-4-5-7-18(16)14-19/h4-14H,15H2,1-3H3,(H2,26,32)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362676 (CHEMBL1939621) Show SMILES CN(C)C(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C Show InChI InChI=1S/C27H29N5O3/c1-27(2,25(34)31(3)4)17-35-26-30-29-23(32(26)5)19-12-14-22(15-13-19)28-24(33)21-11-10-18-8-6-7-9-20(18)16-21/h6-16H,17H2,1-5H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50290391 (CHEMBL42531 | Methyl-carbamic acid 1-[(3-fluoro-py...) Show SMILES CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc12 Show InChI InChI=1S/C19H21FN4O2/c1-4-9-23(18-7-8-22-11-16(18)20)24-12-13(2)15-10-14(5-6-17(15)24)26-19(25)21-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.023-0.041				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362667 (CHEMBL1939631) Show SMILES CC(C)(COc1ccc(cn1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C27H24N2O4/c1-27(2,26(31)32)17-33-24-14-11-22(16-28-24)19-9-12-23(13-10-19)29-25(30)21-8-7-18-5-3-4-6-20(18)15-21/h3-16H,17H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362680 (CHEMBL1939478) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C20H18Cl2N4O3S/c1-11(19(28)29)30-20-25-24-18(26(20)2)13-4-6-14(7-5-13)23-17(27)10-12-3-8-15(21)16(22)9-12/h3-9,11H,10H2,1-2H3,(H,23,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362672 (CHEMBL1939622) Show SMILES CC(C)NC(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C Show InChI InChI=1S/C28H31N5O3/c1-18(2)29-26(35)28(3,4)17-36-27-32-31-24(33(27)5)20-12-14-23(15-13-20)30-25(34)22-11-10-19-8-6-7-9-21(19)16-22/h6-16,18H,17H2,1-5H3,(H,29,35)(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50290392 (Benzyl-carbamic acid 1-[(3-fluoro-pyridin-4-yl)-pr...) Show SMILES CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NCc3ccccc3)ccc12 Show InChI InChI=1S/C25H25FN4O2/c1-3-13-29(24-11-12-27-16-22(24)26)30-17-18(2)21-14-20(9-10-23(21)30)32-25(31)28-15-19-7-5-4-6-8-19/h4-12,14,16-17H,3,13,15H2,1-2H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362667 (CHEMBL1939631) Show SMILES CC(C)(COc1ccc(cn1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C27H24N2O4/c1-27(2,26(31)32)17-33-24-14-11-22(16-28-24)19-9-12-23(13-10-19)29-25(30)21-8-7-18-5-3-4-6-20(18)15-21/h3-16H,17H2,1-2H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362673 (CHEMBL1939624) Show SMILES CN(C)CCNC(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C Show InChI InChI=1S/C29H34N6O3/c1-29(2,27(37)30-16-17-34(3)4)19-38-28-33-32-25(35(28)5)21-12-14-24(15-13-21)31-26(36)23-11-10-20-8-6-7-9-22(20)18-23/h6-15,18H,16-17,19H2,1-5H3,(H,30,37)(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50290391 (CHEMBL42531 | Methyl-carbamic acid 1-[(3-fluoro-py...) Show SMILES CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc12 Show InChI InChI=1S/C19H21FN4O2/c1-4-9-23(18-7-8-22-11-16(18)20)24-12-13(2)15-10-14(5-6-17(15)24)26-19(25)21-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362666 (CHEMBL1939628) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C28H26N2O4/c1-18-14-23(30-26(31)21-9-8-19-6-4-5-7-20(19)15-21)11-12-24(18)22-10-13-25(29-16-22)34-17-28(2,3)27(32)33/h4-16H,17H2,1-3H3,(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362665 (CHEMBL1939632) Show SMILES CC(C)(COc1ccc(cc1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C28H25NO4/c1-28(2,27(31)32)18-33-25-15-11-21(12-16-25)20-9-13-24(14-10-20)29-26(30)23-8-7-19-5-3-4-6-22(19)17-23/h3-17H,18H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362665 (CHEMBL1939632) Show SMILES CC(C)(COc1ccc(cc1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C28H25NO4/c1-28(2,27(31)32)18-33-25-15-11-21(12-16-25)20-9-13-24(14-10-20)29-26(30)23-8-7-19-5-3-4-6-22(19)17-23/h3-17H,18H2,1-2H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50048600 (CHEMBL154541 | Ethyl-indol-1-yl-pyridin-4-yl-amine) Show SMILES CCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C15H15N3/c1-2-17(14-7-10-16-11-8-14)18-12-9-13-5-3-4-6-15(13)18/h3-12H,2H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50379789 (CHEMBL2011534) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r| Show InChI InChI=1S/C27H23F3N4O2/c28-22-12-24(30)23(29)11-20(22)21-14-33(15-25(21)31)26-7-6-18(13-32-26)34-9-8-19(10-27(34)35)36-16-17-4-2-1-3-5-17/h1-13,21,25H,14-16,31H2/t21-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Antagonist activity at human MCH1R expressed in CHO cells assessed as inhibition of MCH-induced response				Bioorg Med Chem Lett 22: 2464-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.010 BindingDB Entry DOI: 10.7270/Q2SX6F7V
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362671 (CHEMBL1939623) Show SMILES Cn1c(OCC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C31H29N5O3/c1-31(2,29(38)33-25-11-5-4-6-12-25)20-39-30-35-34-27(36(30)3)22-15-17-26(18-16-22)32-28(37)24-14-13-21-9-7-8-10-23(21)19-24/h4-19H,20H2,1-3H3,(H,32,37)(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362669 (CHEMBL1939625) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1cnc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H25N3O4/c1-17-12-22(30-24(31)20-9-8-18-6-4-5-7-19(18)13-20)10-11-23(17)21-14-28-26(29-15-21)34-16-27(2,3)25(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362670 (CHEMBL1939627) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1cnc(OCC(C)(C)C(O)=O)cn1 Show InChI InChI=1S/C27H25N3O4/c1-17-12-21(30-25(31)20-9-8-18-6-4-5-7-19(18)13-20)10-11-22(17)23-14-29-24(15-28-23)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362666 (CHEMBL1939628) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C28H26N2O4/c1-18-14-23(30-26(31)21-9-8-19-6-4-5-7-20(19)15-21)11-12-24(18)22-10-13-25(29-16-22)34-17-28(2,3)27(32)33/h4-16H,17H2,1-3H3,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50290389 (CHEMBL295462 | Methyl-carbamic acid 1-(3-fluoro-py...) Show SMILES CNC(=O)Oc1ccc2n(Nc3ccncc3F)cc(C)c2c1 Show InChI InChI=1S/C16H15FN4O2/c1-10-9-21(20-14-5-6-19-8-13(14)17)15-4-3-11(7-12(10)15)23-16(22)18-2/h3-9H,1-2H3,(H,18,22)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362687 (CHEMBL1939474) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1C)C(O)=O Show InChI InChI=1S/C20H20N4O3S/c1-12-4-6-15(7-5-12)18(25)21-16-10-8-14(9-11-16)17-22-23-20(24(17)3)28-13(2)19(26)27/h4-11,13H,1-3H3,(H,21,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50379785 (CHEMBL2011528) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)ccc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r| Show InChI InChI=1S/C27H24F2N4O2/c28-19-6-8-24(29)22(12-19)23-15-32(16-25(23)30)26-9-7-20(14-31-26)33-11-10-21(13-27(33)34)35-17-18-4-2-1-3-5-18/h1-14,23,25H,15-17,30H2/t23-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Antagonist activity at human MCH1R expressed in CHO cells assessed as inhibition of MCH-induced response				Bioorg Med Chem Lett 22: 2464-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.010 BindingDB Entry DOI: 10.7270/Q2SX6F7V
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50048580 (CHEMBL29835 | Indol-1-yl-propyl-pyridin-4-yl-amine...) Show SMILES CCCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [3H]idazoxan binding to Alpha-2 adrenergic receptor in rat cortex, in the presence of GPP				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362679 (CHEMBL1939617) Show SMILES CC(Oc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C23H20N4O4/c1-14(22(29)30)31-23-26-25-20(27(23)2)16-9-11-19(12-10-16)24-21(28)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3,(H,24,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362674 (CHEMBL1939619) Show SMILES Cn1c(CCC(O)=O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C23H20N4O3/c1-27-20(12-13-21(28)29)25-26-22(27)16-8-10-19(11-9-16)24-23(30)18-7-6-15-4-2-3-5-17(15)14-18/h2-11,14H,12-13H2,1H3,(H,24,30)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50290389 (CHEMBL295462 | Methyl-carbamic acid 1-(3-fluoro-py...) Show SMILES CNC(=O)Oc1ccc2n(Nc3ccncc3F)cc(C)c2c1 Show InChI InChI=1S/C16H15FN4O2/c1-10-9-21(20-14-5-6-19-8-13(14)17)15-4-3-11(7-12(10)15)23-16(22)18-2/h3-9H,1-2H3,(H,18,22)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.15-0.22				Bioorg Med Chem Lett 7: 157-162 (1997) Article DOI: 10.1016/S0960-894X(96)00592-6 BindingDB Entry DOI: 10.7270/Q2CC10P5
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362671 (CHEMBL1939623) Show SMILES Cn1c(OCC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C31H29N5O3/c1-31(2,29(38)33-25-11-5-4-6-12-25)20-39-30-35-34-27(36(30)3)22-15-17-26(18-16-22)32-28(37)24-14-13-21-9-7-8-10-23(21)19-24/h4-19H,20H2,1-3H3,(H,32,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362684 (CHEMBL1939477) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C19H16Cl2N4O3S/c1-10(18(27)28)29-19-24-23-16(25(19)2)11-3-6-13(7-4-11)22-17(26)12-5-8-14(20)15(21)9-12/h3-10H,1-2H3,(H,22,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048600 (CHEMBL154541 | Ethyl-indol-1-yl-pyridin-4-yl-amine) Show SMILES CCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C15H15N3/c1-2-17(14-7-10-16-11-8-14)18-12-9-13-5-3-4-6-15(13)18/h3-12H,2H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synaptosome preparation				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50048580 (CHEMBL29835 | Indol-1-yl-propyl-pyridin-4-yl-amine...) Show SMILES CCCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [3H]yohimbine binding to Alpha-2 adrenergic receptor in rat cortex				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in rat striatal preparation				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50048580 (CHEMBL29835 | Indol-1-yl-propyl-pyridin-4-yl-amine...) Show SMILES CCCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362682 (CHEMBL1939473) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C)C(O)=O Show InChI InChI=1S/C19H18N4O3S/c1-12(18(25)26)27-19-22-21-16(23(19)2)13-8-10-15(11-9-13)20-17(24)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50379790 (CHEMBL2011535) Show SMILES N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r| Show InChI InChI=1S/C28H25F3N4O2/c29-23-14-25(31)24(30)13-22(23)21-9-10-34(16-26(21)32)27-7-6-19(15-33-27)35-11-8-20(12-28(35)36)37-17-18-4-2-1-3-5-18/h1-8,11-15,21,26H,9-10,16-17,32H2/t21-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 using H-Gly-Pro-7-amino-4-methylcoumarin as substrate assessed as inhibition of 7-amino-4-methylcoumarin formati...				Bioorg Med Chem Lett 22: 2464-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.010 BindingDB Entry DOI: 10.7270/Q2SX6F7V
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362668 (CHEMBL1939626) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(OCC(C)(C)C(O)=O)nn1 Show InChI InChI=1S/C27H25N3O4/c1-17-14-21(28-25(31)20-9-8-18-6-4-5-7-19(18)15-20)10-11-22(17)23-12-13-24(30-29-23)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,28,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	373	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048580 (CHEMBL29835 | Indol-1-yl-propyl-pyridin-4-yl-amine...) Show SMILES CCCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synaptosome preparation				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair

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