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BDBM81808 CAS_133816::NSC_133816::WY 26392

SMILES: CCCS(=O)(=O)N(C)C1CCN2CCc3ccccc3C2C1

InChI Key: InChIKey=LJPDFKRYOKWXMQ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 81808   
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
ADRA2C


(OK)
BDBM81808
PNG
(CAS_133816 | NSC_133816 | WY 26392)
Show SMILES CCCS(=O)(=O)N(C)C1CCN2CCc3ccccc3C2C1
Show InChI InChI=1S/C17H26N2O2S/c1-3-12-22(20,21)18(2)15-9-11-19-10-8-14-6-4-5-7-16(14)17(19)13-15/h4-7,15,17H,3,8-13H2,1-2H3
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PC sid
UniChem

Similars

PubMed
0.860n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM81808
PNG
(CAS_133816 | NSC_133816 | WY 26392)
Show SMILES CCCS(=O)(=O)N(C)C1CCN2CCc3ccccc3C2C1
Show InChI InChI=1S/C17H26N2O2S/c1-3-12-22(20,21)18(2)15-9-11-19-10-8-14-6-4-5-7-16(14)17(19)13-15/h4-7,15,17H,3,8-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.90n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81808
PNG
(CAS_133816 | NSC_133816 | WY 26392)
Show SMILES CCCS(=O)(=O)N(C)C1CCN2CCc3ccccc3C2C1
Show InChI InChI=1S/C17H26N2O2S/c1-3-12-22(20,21)18(2)15-9-11-19-10-8-14-6-4-5-7-16(14)17(19)13-15/h4-7,15,17H,3,8-13H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
2.20n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair