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BDBM85218 CAS_39022-39-4::Oxaprotiline

SMILES: CNCC(O)CC12CCC(c3ccccc13)c1ccccc21

InChI Key: InChIKey=FDXQKWSTUZCCTM-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 = 85218   
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))
BDBM85218
PNG
(CAS_39022-39-4 | Oxaprotiline)
Show SMILES CNCC(O)CC12CCC(c3ccccc13)c1ccccc21 |TLB:17:16:7.8:10.15,11:10:7.8:16.21,THB:20:21:7.8:10.15,(4.63,-9.46,;4.63,-7.92,;3.3,-7.14,;3.31,-5.6,;4.82,-5.29,;1.98,-4.82,;1.99,-3.28,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;3.1,-2.51,;4.26,-1.49,;5.72,-1.98,;6.02,-3.49,;4.86,-4.51,;3.4,-4.02,;.22,-2.54,;-1.21,-1.97,;-2.42,-2.92,;-2.2,-4.44,;-.77,-5.02,;.44,-4.07,)|
Show InChI InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3
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4.90n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM85218
PNG
(CAS_39022-39-4 | Oxaprotiline)
Show SMILES CNCC(O)CC12CCC(c3ccccc13)c1ccccc21 |TLB:17:16:7.8:10.15,11:10:7.8:16.21,THB:20:21:7.8:10.15,(4.63,-9.46,;4.63,-7.92,;3.3,-7.14,;3.31,-5.6,;4.82,-5.29,;1.98,-4.82,;1.99,-3.28,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;3.1,-2.51,;4.26,-1.49,;5.72,-1.98,;6.02,-3.49,;4.86,-4.51,;3.4,-4.02,;.22,-2.54,;-1.21,-1.97,;-2.42,-2.92,;-2.2,-4.44,;-.77,-5.02,;.44,-4.07,)|
Show InChI InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3
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3.90E+3n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM85218
PNG
(CAS_39022-39-4 | Oxaprotiline)
Show SMILES CNCC(O)CC12CCC(c3ccccc13)c1ccccc21 |TLB:17:16:7.8:10.15,11:10:7.8:16.21,THB:20:21:7.8:10.15,(4.63,-9.46,;4.63,-7.92,;3.3,-7.14,;3.31,-5.6,;4.82,-5.29,;1.98,-4.82,;1.99,-3.28,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;3.1,-2.51,;4.26,-1.49,;5.72,-1.98,;6.02,-3.49,;4.86,-4.51,;3.4,-4.02,;.22,-2.54,;-1.21,-1.97,;-2.42,-2.92,;-2.2,-4.44,;-.77,-5.02,;.44,-4.07,)|
Show InChI InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3
NCI pathway
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Article
PubMed
4.34E+3n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair