BDBM23981 (2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine::1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride::CHEMBL30294::Tetrahydronaphthalen-2-amine, 3a
SMILES: NC1CCc2ccccc2C1
InChI Key: InChIKey=LCGFVWKNXLRFIF-UHFFFAOYSA-N
PDB links: 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Phenylethanolamine N-methyltransferase (Bos taurus (bovine)) | BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
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...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
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...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
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...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bacterial leucyl aminopeptidase (Vibrio proteolyticus) | BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
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...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytosol aminopeptidase (Bos taurus (bovine)) | BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin receptor 2a and 2b (5HT2A and 5HT2B) (RAT) | BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukotriene A4 hydrolase (Homo sapiens (Human)) | BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aminopeptidase N (Sus scrofa (Pig)) | BDBM23981 ((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL 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 | |||||||||||
More data for this Ligand-Target Pair |