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BDBM86710 Rec 27/0224

SMILES: COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1

InChI Key: InChIKey=IRNNHEZQBOQPHZ-UHFFFAOYSA-N

Data: 6 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 86710   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
PDB

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1.05n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
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224n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
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antibodypedia
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646n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
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724n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
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4.79E+3n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86710
PNG
(Rec 27/0224)
Show SMILES COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
Show InChI InChI=1S/C27H33BrF3N3O3/c1-36-21-11-12-22(28)24(19-21)33-16-13-32(14-17-33)15-18-34(26(35)20-7-3-2-4-8-20)23-9-5-6-10-25(23)37-27(29,30)31/h5-6,9-12,19-20H,2-4,7-8,13-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair