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Compile Data Set for Download or QSAR

Found 1127 hits with Last Name = 'pinkerton' and Initial = 'ab'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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410n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


ACS Med Chem Lett 4: 846-851 (2013)


Article DOI: 10.1021/ml400176n
BindingDB Entry DOI: 10.7270/Q2959JZQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 receptor (unknown origin)


ACS Med Chem Lett 4: 846-851 (2013)


Article DOI: 10.1021/ml400176n
BindingDB Entry DOI: 10.7270/Q2959JZQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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1.42E+3n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


ACS Med Chem Lett 4: 846-851 (2013)


Article DOI: 10.1021/ml400176n
BindingDB Entry DOI: 10.7270/Q2959JZQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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2.54E+3n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to PBR receptor (unknown origin)


ACS Med Chem Lett 4: 846-851 (2013)


Article DOI: 10.1021/ml400176n
BindingDB Entry DOI: 10.7270/Q2959JZQ
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Mus musculus)
BDBM50447413
PNG
(CHEMBL3115157)
Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)
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3.20E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as subst...


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50248035
PNG
((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)|
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of NTS1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50248035
PNG
((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)|
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MOR (unknown origin)


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50248035
PNG
((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)|
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1
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5.20E+3n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DOR (unknown origin)


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50444943
PNG
(CHEMBL3099773)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(2.93,-10.42,;4.07,-9.39,;3.75,-7.88,;2.29,-7.41,;1.96,-5.9,;3.1,-4.87,;4.57,-5.34,;5.71,-4.31,;5.39,-2.81,;4.89,-6.85,;6.34,-7.32,;6.82,-8.79,;8.36,-8.78,;8.84,-7.32,;7.59,-6.41,;7.59,-4.87,;6.26,-4.1,;6.26,-2.56,;7.59,-1.79,;8.92,-2.55,;10.25,-1.78,;11.59,-2.54,;12.91,-1.76,;11.59,-4.09,;10.26,-4.86,;8.92,-4.1,;9.27,-10.03,;8.65,-11.43,;10.8,-9.86,;11.71,-11.11,;11.09,-12.51,;12,-13.76,;11.37,-15.17,;13.53,-13.59,;13.24,-10.94,;14.16,-12.18,;13.87,-9.53,)|
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin)


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50444943
PNG
(CHEMBL3099773)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(2.93,-10.42,;4.07,-9.39,;3.75,-7.88,;2.29,-7.41,;1.96,-5.9,;3.1,-4.87,;4.57,-5.34,;5.71,-4.31,;5.39,-2.81,;4.89,-6.85,;6.34,-7.32,;6.82,-8.79,;8.36,-8.78,;8.84,-7.32,;7.59,-6.41,;7.59,-4.87,;6.26,-4.1,;6.26,-2.56,;7.59,-1.79,;8.92,-2.55,;10.25,-1.78,;11.59,-2.54,;12.91,-1.76,;11.59,-4.09,;10.26,-4.86,;8.92,-4.1,;9.27,-10.03,;8.65,-11.43,;10.8,-9.86,;11.71,-11.11,;11.09,-12.51,;12,-13.76,;11.37,-15.17,;13.53,-13.59,;13.24,-10.94,;14.16,-12.18,;13.87,-9.53,)|
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of NTS1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50248035
PNG
((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)|
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin)


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50440738
PNG
(CHEMBL2431105)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:47:37:46:41.44.42,43:38:46:41.44.42,43:42:46:39.38.37,THB:37:38:41:46.44.45,37:45:41:39.38.43,36:37:46:41.44.42,(15.65,-18.65,;16.42,-17.32,;15.65,-15.98,;14.12,-15.98,;13.35,-14.64,;14.12,-13.31,;15.66,-13.32,;16.45,-11.99,;15.69,-10.65,;16.42,-14.66,;17.96,-14.67,;18.44,-16.14,;19.98,-16.13,;20.44,-14.66,;19.21,-13.77,;19.2,-12.24,;17.87,-11.46,;17.87,-9.92,;19.2,-9.15,;20.53,-9.91,;20.53,-11.45,;21.87,-12.22,;23.2,-11.45,;21.87,-13.76,;19.19,-7.61,;17.86,-6.84,;20.52,-6.83,;20.52,-5.29,;21.86,-7.6,;23.19,-6.83,;24.53,-7.6,;25.86,-6.82,;27.2,-7.59,;25.86,-5.28,;20.89,-17.37,;20.27,-18.78,;22.42,-17.2,;23.33,-18.45,;24.37,-19.55,;23.6,-20.77,;22.31,-21.33,;22.32,-23.09,;23.12,-21.75,;24.52,-21.18,;22.02,-20.6,;21.92,-18.99,;21.27,-20.27,;24.86,-18.28,;25.77,-19.52,;25.48,-16.87,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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n/an/a 0.240n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-neurotensin from NTR1 (unknown origin)


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50440738
PNG
(CHEMBL2431105)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:47:37:46:41.44.42,43:38:46:41.44.42,43:42:46:39.38.37,THB:37:38:41:46.44.45,37:45:41:39.38.43,36:37:46:41.44.42,(15.65,-18.65,;16.42,-17.32,;15.65,-15.98,;14.12,-15.98,;13.35,-14.64,;14.12,-13.31,;15.66,-13.32,;16.45,-11.99,;15.69,-10.65,;16.42,-14.66,;17.96,-14.67,;18.44,-16.14,;19.98,-16.13,;20.44,-14.66,;19.21,-13.77,;19.2,-12.24,;17.87,-11.46,;17.87,-9.92,;19.2,-9.15,;20.53,-9.91,;20.53,-11.45,;21.87,-12.22,;23.2,-11.45,;21.87,-13.76,;19.19,-7.61,;17.86,-6.84,;20.52,-6.83,;20.52,-5.29,;21.86,-7.6,;23.19,-6.83,;24.53,-7.6,;25.86,-6.82,;27.2,-7.59,;25.86,-5.28,;20.89,-17.37,;20.27,-18.78,;22.42,-17.2,;23.33,-18.45,;24.37,-19.55,;23.6,-20.77,;22.31,-21.33,;22.32,-23.09,;23.12,-21.75,;24.52,-21.18,;22.02,-20.6,;21.92,-18.99,;21.27,-20.27,;24.86,-18.28,;25.77,-19.52,;25.48,-16.87,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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n/an/a 0.240n/an/an/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-neurotensin from NTR1 in HUVEC after 1 hr by gamma counting analysis


ACS Med Chem Lett 4: 846-851 (2013)


Article DOI: 10.1021/ml400176n
BindingDB Entry DOI: 10.7270/Q2959JZQ
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332549
PNG
(5-chloroindol-2-yl 2-[(3-fluorophenyl)methyl]-2,7-...)
Show SMILES Fc1cccc(CN2CC3(C2)CCN(CC3)C(=O)c2cc3cc(Cl)ccc3[nH]2)c1
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n/an/a<5n/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332550
PNG
(5-chloroindol-2-yl 2-[(4-fluorophenyl)carbonyl]-2,...)
Show SMILES Fc1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc2cc(Cl)ccc2[nH]1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332551
PNG
((2E)-3-(4-bromophenyl)-1-{2-[(4-chlorophenyl)methy...)
Show SMILES Clc1ccc(CN2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Br)cc2)cc1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332552
PNG
((2E)-3-(4-bromophenyl)-1-[2-(phenylcarbonyl)-2,7-d...)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCC3(CN(C3)C(=O)c3ccccc3)CC2)cc1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332553
PNG
((2E)-3-(4-bromophenyl)-1-{2-[(4-fluorophenyl)methy...)
Show SMILES Fc1ccc(CN2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Br)cc2)cc1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332554
PNG
((2E)-1-{2-[(3,4-dimethoxyphenyl)carbonyl]-2,7-diaz...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332555
PNG
((2E)-1-{2-[(3,5-dichlorophenyl)carbonyl]-2,7-diaza...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332556
PNG
((2E)-1-{2-[(2,6-dichlorophenyl)methyl]-2,7-diazasp...)
Show SMILES Clc1cccc(Cl)c1CN1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332557
PNG
((2E)-3-(4-bromophenyl)-1-{2-[(3-methylphenyl)carbo...)
Show SMILES Cc1cccc(c1)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332562
PNG
(5-chloroindol-2-yl 2-[(4-fluorophenyl)methyl]-2,7-...)
Show SMILES Fc1ccc(CN2CC3(C2)CCN(CC3)C(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332563
PNG
(5-chloroindol-2-yl 7-{[3-fluoro-4-(trifluoromethyl...)
Show SMILES Fc1cc(ccc1C(F)(F)F)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332564
PNG
((2E)-3-(4-bromophenyl)-1-{7-[(4-chlorophenyl)carbo...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332565
PNG
((2E)-3-(4-bromophenyl)-1-{7-[(4-fluorophenyl)carbo...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332566
PNG
((2E)-3-(4-bromophenyl)-1-(7-{[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332567
PNG
((2E)-3-(4-bromophenyl)-1-(7-{[4-fluoro-3-(trifluor...)
Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332573
PNG
((2E)-3-(3,4-dichlorophenyl)-1-{7-[(4-fluorophenyl)...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332574
PNG
((2E)-3-(3,4-dichlorophenyl)-1-{7-[(4-chlorophenyl)...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332575
PNG
((2E)-3-(3,4-dichlorophenyl)-1-(7-{[4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332580
PNG
((2E)-1-{2-[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl...)
Show SMILES Clc1ccc(\C=C\C(=O)N2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)cc1Cl
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332584
PNG
(5-chloroindol-2-yl 7-{[4-(trifluoromethyl)phenyl]c...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332585
PNG
(5-chloroindol-2-yl 7-[(4-chlorophenyl)carbonyl]-2,...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332588
PNG
(4-({2-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-2,7-dia...)
Show SMILES Fc1cc(ccc1C#N)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332589
PNG
((2E)-1-{7-[(3,5-difluorophenyl)carbonyl]-2,7-diaza...)
Show SMILES Fc1cc(F)cc(c1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332590
PNG
((2E)-3-(4-bromophenyl)-1-(7-{[4-fluoro-2-(trifluor...)
Show SMILES Fc1ccc(C(=O)N2CCC3(CN(C3)C(=O)\C=C\c3ccc(Br)cc3)CC2)c(c1)C(F)(F)F
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332591
PNG
(5-bromoindol-2-yl 7-[(4-bromophenyl)carbonyl]-2,7-...)
Show SMILES Brc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Br)ccc3[nH]2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332593
PNG
(5-bromoindol-2-yl 7-{[4-fluoro-2-(trifluoromethyl)...)
Show SMILES Fc1ccc(C(=O)N2CCC3(CN(C3)C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)c(c1)C(F)(F)F
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332596
PNG
((2E)-1-{7-[(4-aminophenyl)carbonyl]-2,7-diazaspiro...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332597
PNG
((2E)-3-(4-bromophenyl)-1-(2-{[4-fluoro-2-(trifluor...)
Show SMILES Fc1ccc(C(=O)N2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Br)cc2)c(c1)C(F)(F)F
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332598
PNG
((2E)-3-(4-bromophenyl)-1-{2-[(4-fluorophenyl)carbo...)
Show SMILES Fc1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
KEGG

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332599
PNG
((2E)-3-(4-bromophenyl)-1-(2-{[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
KEGG

UniProtKB/SwissProt

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332613
PNG
(3-(4-bromophenyl)-1-{2-[(4-fluorophenyl)methyl]-2,...)
Show SMILES Fc1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Br)cc2)cc1
KEGG

UniProtKB/SwissProt

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332614
PNG
(3-(4-bromophenyl)-1-{2-[(4-chlorophenyl)methyl]-2,...)
Show SMILES Clc1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Br)cc2)cc1
KEGG

UniProtKB/SwissProt

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332616
PNG
(3-(4-bromophenyl)-1-(2-{[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)C#Cc1ccc(Br)cc1
KEGG

UniProtKB/SwissProt

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332617
PNG
(3-(4-bromophenyl)-1-{2-[(4-bromophenyl)methyl]-2,7...)
Show SMILES Brc1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Br)cc2)cc1
KEGG

UniProtKB/SwissProt

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332618
PNG
(3-(4-bromophenyl)-1-(2-{[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Br)cc2)cc1
KEGG

UniProtKB/SwissProt

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332619
PNG
(3-(4-bromophenyl)-1-{2-[(4-methoxyphenyl)carbonyl]...)
Show SMILES COc1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)C#Cc1ccc(Br)cc1
KEGG

UniProtKB/SwissProt

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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332621
PNG
(3-(4-chlorophenyl)-1-{2-[(4-chlorophenyl)carbonyl]...)
Show SMILES Clc1ccc(cc1)C#CC(=O)N1CCC2(CN(C2)C(=O)c2ccc(Cl)cc2)CC1
KEGG

UniProtKB/SwissProt

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n/an/a<5n/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent




US Patent US10196369 (2019)


BindingDB Entry DOI: 10.7270/Q2BR8V88
More data for this
Ligand-Target Pair
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