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BDBM84742 CAS_106650-56-0::NSC_5210::sibutramine

SMILES: CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=UNAANXDKBXWMLN-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 84742   
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 serotonin transporter


(Rattus norvegicus (rat))
BDBM84742
PNG
(CAS_106650-56-0 | NSC_5210 | sibutramine)
Show SMILES CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
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KEGG

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KEGG
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PubMed
2.14E+3n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM84742
PNG
(CAS_106650-56-0 | NSC_5210 | sibutramine)
Show SMILES CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
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KEGG

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KEGG
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PubMed
3.13E+3n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM84742
PNG
(CAS_106650-56-0 | NSC_5210 | sibutramine)
Show SMILES CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
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KEGG
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM84742
PNG
(CAS_106650-56-0 | NSC_5210 | sibutramine)
Show SMILES CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
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KEGG
PC cid
PC sid
UniChem

Patents


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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM84742
PNG
(CAS_106650-56-0 | NSC_5210 | sibutramine)
Show SMILES CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair