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Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 147.2
BDBM23981

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Wt: 147.2
BDBM50405614

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Wt: 147.2
BDBM50405616

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 14 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50405614 (CHEMBL1178569) Show SMILES N[C@H]1CCc2ccccc2C1 \|r\| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)				J Med Chem 31: 1984-6 (1988) BindingDB Entry DOI: 10.7270/Q2QF8TFD
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine phenylethanolamine N-methyl-transferase				J Med Chem 32: 478-86 (1989) BindingDB Entry DOI: 10.7270/Q2P55P32
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50405616 (CHEMBL2114376) Show SMILES N[C@@H]1CCc2ccccc2C1 \|r\| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)				J Med Chem 31: 1984-6 (1988) BindingDB Entry DOI: 10.7270/Q2QF8TFD
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates				J Med Chem 29: 2375-80 (1986) BindingDB Entry DOI: 10.7270/Q23N25KJ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity of the compound to phenylethanolamine N-methyltransferase(PNMT) in bovine				J Med Chem 31: 169-71 (1988) BindingDB Entry DOI: 10.7270/Q23J3BZW
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Phenylethylamine N-Methyltransferase (PNMT) using radiochemical assay				J Med Chem 30: 2191-208 (1988) BindingDB Entry DOI: 10.7270/Q2H41S10
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of phenylethanolamine N-methyl-transferase (PNMT)				J Med Chem 31: 433-44 (1988) BindingDB Entry DOI: 10.7270/Q2NG4R6N
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of urokinase				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Bacterial leucyl aminopeptidase (Vibrio proteolyticus)	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	8.0	30
ENSCMu					Assay Description Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...				Bioorg Med Chem 14: 7241-57 (2006) Article DOI: 10.1016/j.bmc.2006.06.050 BindingDB Entry DOI: 10.7270/Q2N29V73
ENSCMu					More data for this Ligand-Target Pair
Cytosol aminopeptidase (Bos taurus (bovine))	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	8.0	30
ENSCMu					Assay Description Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...				Bioorg Med Chem 14: 7241-57 (2006) Article DOI: 10.1016/j.bmc.2006.06.050 BindingDB Entry DOI: 10.7270/Q2N29V73
ENSCMu					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...				Bioorg Med Chem 14: 7241-57 (2006) Article DOI: 10.1016/j.bmc.2006.06.050 BindingDB Entry DOI: 10.7270/Q2N29V73
ENSCMu					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...				Bioorg Med Chem 14: 7241-57 (2006) Article DOI: 10.1016/j.bmc.2006.06.050 BindingDB Entry DOI: 10.7270/Q2N29V73
ENSCMu					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (RAT)	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus				J Med Chem 25: 68-70 (1982) BindingDB Entry DOI: 10.7270/Q2902507
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine \| 1,2...) Show SMILES NC1CCc2ccccc2C1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor agonist activity in rabbit ear artery				J Med Chem 24: 1432-7 (1982) BindingDB Entry DOI: 10.7270/Q2XW4KB0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair