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BDBM86285 CAS_1576::Methcathinone, (-)::NSC_1576

SMILES: CNC(C)C(=O)c1ccccc1

InChI Key: InChIKey=LPLLVINFLBSFRP-UHFFFAOYSA-N

Data: 7 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 86285   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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Article
PubMed
13.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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Article
PubMed
14.8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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PubMed
605n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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PubMed
1.54E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
PDB

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Article
PubMed
1.77E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
PDB

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antibodypedia
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Article
PubMed
9.02E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
PDB

KEGG

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PC cid
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Article
PubMed
n/an/an/an/a 3.86E+3n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT (unknown origin) assessed as release of [3H]HT


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
NCI pathway
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Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity expressed in CV-1 cells


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair