Compounds in cluster

78 molecules are shown

Wt: 379.4 BDBM136570	Wt: 397.4 BDBM136574 Purchase	Wt: 263.3 BDBM112777 Purchase	Wt: 355.8 BDBM50041457 Purchase	Wt: 327.8 BDBM50056190 Purchase
Wt: 269.3 BDBM50062614 Purchase	Wt: 646.7 BDBM50075373 Purchase	Wt: 314.3 BDBM50090677 Purchase	Wt: 136.1 BDBM50105417 Purchase	Wt: 250.3 BDBM50110590 Purchase
Wt: 418.5 BDBM50139181 Purchase	Wt: 378.3 BDBM50151865 Purchase	Wt: 368.4 BDBM50218116 Purchase	Wt: 315.4 BDBM50225074 Purchase	Wt: 424.4 BDBM50265079

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 502 hits for monomerid = 136570,136574,112777,50041457,50056190,50062614,50075373,50090677,50105417,50110590,50139181,50151865,50218116,50225074,50265079
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme				J Med Chem 43: 2789-96 (2000) BindingDB Entry DOI: 10.7270/Q2K64H9Q
Washington State University Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50062614 (CHEMBL900 \| Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP K_i Database									Biochem Pharmacol 45: 2352-4 (1993) Article DOI: 10.1016/0006-2952(93)90211-e BindingDB Entry DOI: 10.7270/Q2F76B2C
Mayo Foundation Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Chick)	BDBM50062614 (CHEMBL900 \| Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by PDSP K_i Database									Mol Pharmacol 38: 805-15 (1990) BindingDB Entry DOI: 10.7270/Q2H993P0
Glaxo Group Research Ltd. Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting				J Med Chem 55: 5704-19 (2012) Article DOI: 10.1021/jm2011657 BindingDB Entry DOI: 10.7270/Q2NV9KB2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP K_i Database									J Pharmacol Exp Ther 283: 1305-22 (1997) BindingDB Entry DOI: 10.7270/Q25Q4TMX
Emory University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	294	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP K_i Database									Psychopharmacology (Berl) 114: 559-65 (1994) Article DOI: 10.1007/BF02244985 BindingDB Entry DOI: 10.7270/Q25X27FZ
Mayo Clinic Jacksonville Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	317	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP K_i Database									Biol Psychiatry 55: 320-2 (2004) Article DOI: 10.1016/j.biopsych.2003.07.006 BindingDB Entry DOI: 10.7270/Q2K64GMB
Emory University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Binding affinity towards cytochrome P450 2C9				J Med Chem 47: 907-14 (2004) Article DOI: 10.1021/jm030972s BindingDB Entry DOI: 10.7270/Q2ZK5HF3
AstraZeneca R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50139181 ((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method				Citation and Details Article DOI: 10.1007/s00044-005-0140-0 BindingDB Entry DOI: 10.7270/Q2CJ8HD5
TBA					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50139181 ((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method				Citation and Details Article DOI: 10.1007/s00044-005-0140-0 BindingDB Entry DOI: 10.7270/Q2CJ8HD5
TBA					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP K_i Database									Eur J Pharmacol 340: 249-58 (1997) Article DOI: 10.1016/s0014-2999(97)01393-9 BindingDB Entry DOI: 10.7270/Q2V69H3D
Mayo Clinic Jacksonville Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of human cytochrome P450 2C8 measured by paclitaxel hydroxylation using a recombinant system				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP K_i Database									Biol Psychiatry 55: 320-2 (2004) Article DOI: 10.1016/j.biopsych.2003.07.006 BindingDB Entry DOI: 10.7270/Q2K64GMB
Emory University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc., Curated by PDSP K_i Database									J Pharmacol Exp Ther 226: 686-700 (1983) BindingDB Entry DOI: 10.7270/Q2XP73D5
Pfizer Inc., Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139181 ((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method				Citation and Details Article DOI: 10.1007/s00044-005-0140-0 BindingDB Entry DOI: 10.7270/Q2CJ8HD5
TBA					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139181 ((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method				Citation and Details Article DOI: 10.1007/s00044-005-0140-0 BindingDB Entry DOI: 10.7270/Q2CJ8HD5
TBA					More data for this Ligand-Target Pair
Fatty acid-binding protein, liver (Rattus norvegicus (Rat))	BDBM50110590 (2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...) Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by co...				J Med Chem 51: 3755-64 (2008) Article DOI: 10.1021/jm701192w BindingDB Entry DOI: 10.7270/Q2KH0P7G
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 \| MEFLOQUINE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells				ACS Med Chem Lett 4: 1037-41 (2013) Article DOI: 10.1021/ml400015f BindingDB Entry DOI: 10.7270/Q2M61P6M
Merck Serono Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									J Pharm Pharmacol 38: 374-9 (1986) Article DOI: 10.1111/j.2042-7158.1986.tb04590.x BindingDB Entry DOI: 10.7270/Q2JS9NXW
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP K_i Database									Psychopharmacology (Berl) 114: 559-65 (1994) Article DOI: 10.1007/BF02244985 BindingDB Entry DOI: 10.7270/Q25X27FZ
Mayo Clinic Jacksonville Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP K_i Database									Psychopharmacology (Berl) 114: 559-65 (1994) Article DOI: 10.1007/BF02244985 BindingDB Entry DOI: 10.7270/Q25X27FZ
Mayo Clinic Jacksonville Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP K_i Database									Biol Psychiatry 55: 320-2 (2004) Article DOI: 10.1016/j.biopsych.2003.07.006 BindingDB Entry DOI: 10.7270/Q2K64GMB
Emory University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Dissociation constant against galectin-3 using competitive fluorescence polarization				Eur J Med Chem 125: 940-951 (2017) Article DOI: 10.1016/j.ejmech.2016.10.021 BindingDB Entry DOI: 10.7270/Q2ZC8597
Zhengzhou University Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars		6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 \| MEFLOQUINE) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2916-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.075 BindingDB Entry DOI: 10.7270/Q2BR8T25
Vernalis (R&D) Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50110590 (2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...) Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
West Virginia University Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member (Danio rerio (Zebrafish))	BDBM50110590 (2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...) Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rudjer Boskovic Institute					Assay Description In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...				J Biol Chem 288: 33894-911 (2013) Article DOI: 10.1074/jbc.M113.518506 BindingDB Entry DOI: 10.7270/Q29Z93RK
Rudjer Boskovic Institute					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP K_i Database									Eur J Pharmacol 340: 249-58 (1997) Article DOI: 10.1016/s0014-2999(97)01393-9 BindingDB Entry DOI: 10.7270/Q2V69H3D
Mayo Clinic Jacksonville Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									Mol Pharmacol 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP K_i Database									Eur J Pharmacol 340: 249-58 (1997) Article DOI: 10.1016/s0014-2999(97)01393-9 BindingDB Entry DOI: 10.7270/Q2V69H3D
Mayo Clinic Jacksonville Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB 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 PDSP K_i Database									J Pharmacol Exp Ther 226: 686-700 (1983) BindingDB Entry DOI: 10.7270/Q2XP73D5
Pfizer Inc., Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP K_i Database									Eur J Pharmacol 340: 249-58 (1997) Article DOI: 10.1016/s0014-2999(97)01393-9 BindingDB Entry DOI: 10.7270/Q2V69H3D
Mayo Clinic Jacksonville Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Bile salt export pump (Rattus norvegicus)	BDBM50139181 ((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by PDSP K_i Database									J Pharmacol Exp Ther 314: 876-82 (2005) Article DOI: 10.1124/jpet.105.084830 BindingDB Entry DOI: 10.7270/Q23X8573
University of Tokyo Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50139181 ((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by PDSP K_i Database									J Pharmacol Exp Ther 314: 876-82 (2005) Article DOI: 10.1124/jpet.105.084830 BindingDB Entry DOI: 10.7270/Q23X8573
University of Tokyo Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 \| MEFLOQUINE) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity to human adenosine A1 receptor				Bioorg Med Chem Lett 18: 2916-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.075 BindingDB Entry DOI: 10.7270/Q2BR8T25
Vernalis (R&D) Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of LSD1				Bioorg Med Chem 19: 3625-36 (2011) Article DOI: 10.1016/j.bmc.2011.01.046 BindingDB Entry DOI: 10.7270/Q23X870S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of LSD1				J Med Chem 54: 8236-50 (2011) Article DOI: 10.1021/jm201048w BindingDB Entry DOI: 10.7270/Q2D50NFR
Kyoto Prefectural University of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM112777 (NORTRIPTYLINE \| US8629135, SW-02) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	4.99E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of human cytochrome P450 2C8 measured by paclitaxel hydroxylation using a recombinant system				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 \| Nardil \| PHENELZINE \| Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	5.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of human cytochrome P450 2C8 measured by paclitaxel hydroxylation using human liver microsomes				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50139181 ((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibitory constant against HMG-CoA reductase with alpha asarone				Bioorg Med Chem Lett 15: 989-94 (2005) Article DOI: 10.1016/j.bmcl.2004.12.046 BindingDB Entry DOI: 10.7270/Q2BC3Z1P
Universidad Nacional Autónoma de México Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty acid-binding protein, liver (Rattus norvegicus (Rat))	BDBM50110590 (2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...) Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by com...				J Med Chem 51: 3755-64 (2008) Article DOI: 10.1021/jm701192w BindingDB Entry DOI: 10.7270/Q2KH0P7G
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50062614 (CHEMBL900 \| Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of human OCT2 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay				J Med Chem 54: 4548-58 (2011) Article DOI: 10.1021/jm2001629 BindingDB Entry DOI: 10.7270/Q26W9C5N
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM50062614 (CHEMBL900 \| Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of human OCT1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay				J Med Chem 54: 4548-58 (2011) Article DOI: 10.1021/jm2001629 BindingDB Entry DOI: 10.7270/Q26W9C5N
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human))	BDBM50062614 (CHEMBL900 \| Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of human MATE1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay				J Med Chem 54: 4548-58 (2011) Article DOI: 10.1021/jm2001629 BindingDB Entry DOI: 10.7270/Q26W9C5N
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human))	BDBM50062614 (CHEMBL900 \| Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of human MATE2-K expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay				J Med Chem 54: 4548-58 (2011) Article DOI: 10.1021/jm2001629 BindingDB Entry DOI: 10.7270/Q26W9C5N
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50062614 (CHEMBL900 \| Dimethyl-[2-(phenyl-o-tolyl-methoxy)-e...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1C Show InChI	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	Article PubMed	n/a	n/a	851	n/a	n/a	n/a	n/a	n/a	n/a
TCG Lifesciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG				Eur J Med Chem 46: 618-30 (2011) Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W
TCG Lifesciences Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	6.8	25
Commissariat á l'Energie Atomique					Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS.				J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB
Commissariat á l'Energie Atomique					More data for this Ligand-Target Pair				3D Structure (crystal)

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