Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'martin' and Initial = 'll'   

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
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
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50367064 (CHEMBL1204338) Show SMILES CN1C(Cc2ccccc2N=C1C)c1ccccc1 |c:11| Show InChI InChI=1S/C17H18N2/c1-13-18-16-11-7-6-10-15(16)12-17(19(13)2)14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of rat brain mitochondrial monoamine oxidase A.				J Med Chem 25: 340-6 (1982) BindingDB Entry DOI: 10.7270/Q2862H1K
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50367064 (CHEMBL1204338) Show SMILES CN1C(Cc2ccccc2N=C1C)c1ccccc1 |c:11| Show InChI InChI=1S/C17H18N2/c1-13-18-16-11-7-6-10-15(16)12-17(19(13)2)14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of rat brain mitochondrial monoamine oxidase B				J Med Chem 25: 340-6 (1982) BindingDB Entry DOI: 10.7270/Q2862H1K
					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
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
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
Transporter (Rattus norvegicus (rat))	BDBM50009717 (CHEMBL436281) Show SMILES C1CC2(CCN1)OC(c1ccccc21)c1ccccc1 Show InChI InChI=1S/C18H19NO/c1-2-6-14(7-3-1)17-15-8-4-5-9-16(15)18(20-17)10-12-19-13-11-18/h1-9,17,19H,10-13H2	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NET-mediated norepinephrine uptake in rat brain synaptosomes				J Med Chem 22: 1347-54 (1980) BindingDB Entry DOI: 10.7270/Q20K2B3Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048999 (CHEMBL82292 | N-Hydroxy-N-methyl-3-(11-oxo-6,11-di...) Show SMILES CN(O)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C18H17NO4/c1-19(22)17(20)9-7-12-6-8-16-15(10-12)18(21)14-5-3-2-4-13(14)11-23-16/h2-6,8,10,22H,7,9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048989 (3-(6,11-Dihydro-dibenzo[b,e]oxepin-2-yl)-N-hydroxy...) Show SMILES CN(O)C(=O)CCc1ccc2OCc3ccccc3Cc2c1 Show InChI InChI=1S/C18H19NO3/c1-19(21)18(20)9-7-13-6-8-17-16(10-13)11-14-4-2-3-5-15(14)12-22-17/h2-6,8,10,21H,7,9,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					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
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
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
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
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
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048997 (2-[2-(Hydroxy-isopropyl-amino)-ethyl]-6H-dibenzo[b...) Show SMILES CC(C)N(O)CCc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C19H21NO3/c1-13(2)20(22)10-9-14-7-8-18-17(11-14)19(21)16-6-4-3-5-15(16)12-23-18/h3-8,11,13,22H,9-10,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					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
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
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048998 (CHEMBL83425 | N-Ethyl-N-hydroxy-3-(11-oxo-6,11-dih...) Show SMILES CCN(O)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C19H19NO4/c1-2-20(23)18(21)10-8-13-7-9-17-16(11-13)19(22)15-6-4-3-5-14(15)12-24-17/h3-7,9,11,23H,2,8,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					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
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048990 (CHEMBL314856 | N-Hydroxy-N-[2-(11-oxo-6,11-dihydro...) Show SMILES CC(=O)N(O)CCc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C18H17NO4/c1-12(20)19(22)9-8-13-6-7-17-16(10-13)18(21)15-5-3-2-4-14(15)11-23-17/h2-7,10,22H,8-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50049003 (CHEMBL85455 | N-Hydroxy-N-(11-oxo-6,11-dihydro-dib...) Show SMILES CC(=O)N(O)Cc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C17H15NO4/c1-11(19)18(21)9-12-6-7-16-15(8-12)17(20)14-5-3-2-4-13(14)10-22-16/h2-8,21H,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048992 (2-[2-(Hydroxy-methyl-amino)-ethyl]-6H-dibenzo[b,e]...) Show SMILES CN(O)CCc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C17H17NO3/c1-18(20)9-8-12-6-7-16-15(10-12)17(19)14-5-3-2-4-13(14)11-21-16/h2-7,10,20H,8-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					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	PDB 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
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048991 (CHEMBL84599 | N-[2-(6,11-Dihydro-dibenzo[b,e]oxepi...) Show SMILES CCN(O)CCc1ccc2OCc3ccccc3Cc2c1 Show InChI InChI=1S/C18H21NO2/c1-2-19(20)10-9-14-7-8-18-17(11-14)12-15-5-3-4-6-16(15)13-21-18/h3-8,11,20H,2,9-10,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					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
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	PDB 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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048576 (Butyl-indol-1-yl-pyridin-4-yl-amine | CHEMBL155109) Show SMILES CCCCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C17H19N3/c1-2-3-13-19(16-8-11-18-12-9-16)20-14-10-15-6-4-5-7-17(15)20/h4-12,14H,2-3,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50049008 (2-[2-(Ethyl-hydroxy-amino)-ethyl]-6,11-dihydro-dib...) Show SMILES CCN(O)CCc1ccc2OCc3ccccc3C(O)c2c1 Show InChI InChI=1S/C18H21NO3/c1-2-19(21)10-9-13-7-8-17-16(11-13)18(20)15-6-4-3-5-14(15)12-22-17/h3-8,11,18,20-21H,2,9-10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	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]oxotremorine-M binding to muscarinic receptors in rat forebrain membrane				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	470	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				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
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048994 (2-[2-(Ethyl-hydroxy-amino)-ethyl]-6H-dibenzo[b,e]o...) Show SMILES CCN(O)CCc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C18H19NO3/c1-2-19(21)10-9-13-7-8-17-16(11-13)18(20)15-6-4-3-5-14(15)12-22-17/h3-8,11,21H,2,9-10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50006817 (9-Phenyl-nonanoic acid hydroxyamide | BMY-30094 | ...) Show SMILES ONC(=O)CCCCCCCCc1ccccc1 Show InChI InChI=1S/C15H23NO2/c17-15(16-18)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,18H,1-4,6,9-10,13H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					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))	BDBM50048602 (CHEMBL348034 | Indol-1-yl-prop-2-ynyl-pyridin-4-yl...) Show SMILES C#CCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	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
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50048610 (CHEMBL435034 | Carbazol-9-yl-propyl-pyridin-4-yl-a...) Show SMILES CCCN(c1ccncc1)n1c2ccccc2c2ccccc12 Show InChI InChI=1S/C20H19N3/c1-2-15-22(16-11-13-21-14-12-16)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-14H,2,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
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-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	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]WB-4101 binding to Alpha-1 adrenergic receptor in rat whole brain membrane				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))	BDBM50048610 (CHEMBL435034 | Carbazol-9-yl-propyl-pyridin-4-yl-a...) Show SMILES CCCN(c1ccncc1)n1c2ccccc2c2ccccc12 Show InChI InChI=1S/C20H19N3/c1-2-15-22(16-11-13-21-14-12-16)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-14H,2,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048575 ((5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine |...) Show SMILES CCCN(c1ccncc1)n1ccc2cc(OC)ccc12 Show InChI InChI=1S/C17H19N3O/c1-3-11-19(15-6-9-18-10-7-15)20-12-8-14-13-16(21-2)4-5-17(14)20/h4-10,12-13H,3,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	570	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
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50049006 (CHEMBL85113 | N-Hydroxy-N-isopropyl-3-(11-oxo-6,11...) Show SMILES CC(C)N(O)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C20H21NO4/c1-13(2)21(24)19(22)10-8-14-7-9-18-17(11-14)20(23)16-6-4-3-5-15(16)12-25-18/h3-7,9,11,13,24H,8,10,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048996 (CHEMBL86214 | N-Ethyl-N-hydroxy-2-(11-oxo-6,11-dih...) Show SMILES CCN(O)C(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C18H17NO4/c1-2-19(22)17(20)10-12-7-8-16-15(9-12)18(21)14-6-4-3-5-13(14)11-23-16/h3-9,22H,2,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50049007 (2-[3-(Hydroxy-methyl-amino)-propyl]-6H-dibenzo[b,e...) Show SMILES CN(O)CCCc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C18H19NO3/c1-19(21)10-4-5-13-8-9-17-16(11-13)18(20)15-7-3-2-6-14(15)12-22-17/h2-3,6-9,11,21H,4-5,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					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))	BDBM50048576 (Butyl-indol-1-yl-pyridin-4-yl-amine | CHEMBL155109) Show SMILES CCCCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C17H19N3/c1-2-3-13-19(16-8-11-18-12-9-16)20-14-10-15-6-4-5-7-17(15)20/h4-12,14H,2-3,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	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
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50048590 (CHEMBL154319 | Indol-1-yl-isopropyl-pyridin-4-yl-a...) Show SMILES CC(C)N(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H17N3/c1-13(2)19(15-7-10-17-11-8-15)18-12-9-14-5-3-4-6-16(14)18/h3-13H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	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
Muscarinic acetylcholine receptor M2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	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]N-methyl-scopolamine in rat Muscarinic acetylcholine receptor M2 cerebellum in the presence GPP(NH)P				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
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50049000 (CHEMBL311433 | N-Hydroxy-2,2,N-trimethyl-3-(11-oxo...) Show SMILES CN(O)C(=O)C(C)(C)Cc1ccc2OCc3ccccc3C(=O)c2c1 Show InChI InChI=1S/C20H21NO4/c1-20(2,19(23)21(3)24)11-13-8-9-17-16(10-13)18(22)15-7-5-4-6-14(15)12-25-17/h4-10,24H,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant				J Med Chem 39: 246-52 (1996) Article DOI: 10.1021/jm950563z BindingDB Entry DOI: 10.7270/Q22806PF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	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

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