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BDBM218678 US9296681, 33a-Racemic

SMILES: CC(C)CC(NCCCC(N)=O)C1(CCC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=LOAMESGVVPSFCK-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 = 218678   
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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM218678
PNG
(US9296681, 33a-Racemic)
Show SMILES CC(C)CC(NCCCC(N)=O)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N2O/c1-13(2)11-17(23-10-3-5-18(22)24)19(8-4-9-19)14-6-7-15(20)16(21)12-14/h6-7,12-13,17,23H,3-5,8-11H2,1-2H3,(H2,22,24)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.5n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...


US Patent US9296681 (2016)


BindingDB Entry DOI: 10.7270/Q22B8WW4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM218678
PNG
(US9296681, 33a-Racemic)
Show SMILES CC(C)CC(NCCCC(N)=O)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N2O/c1-13(2)11-17(23-10-3-5-18(22)24)19(8-4-9-19)14-6-7-15(20)16(21)12-14/h6-7,12-13,17,23H,3-5,8-11H2,1-2H3,(H2,22,24)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
8.10n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...


US Patent US9296681 (2016)


BindingDB Entry DOI: 10.7270/Q22B8WW4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM218678
PNG
(US9296681, 33a-Racemic)
Show SMILES CC(C)CC(NCCCC(N)=O)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N2O/c1-13(2)11-17(23-10-3-5-18(22)24)19(8-4-9-19)14-6-7-15(20)16(21)12-14/h6-7,12-13,17,23H,3-5,8-11H2,1-2H3,(H2,22,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
50.1n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...


US Patent US9296681 (2016)


BindingDB Entry DOI: 10.7270/Q22B8WW4
More data for this
Ligand-Target Pair