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BDBM86850 1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)urea::CAS_16041628::NSC_16041628

SMILES: CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=NIQWPNGICRVKCM-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 86850   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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0.690n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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2.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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26.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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PubMed
35.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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76n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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PubMed
475n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair