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Compile Data Set for Download or QSAR

Found 35 hits from Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute   
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
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
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
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
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
Sodium-dependent dopamine transporter


(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
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)
BDBM50444943
PNG
(CHEMBL3099773)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
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
Sodium-dependent dopamine transporter


(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
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)
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
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
G-protein coupled receptor 35


(Homo sapiens)
BDBM50444943
PNG
(CHEMBL3099773)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
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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n/an/an/an/a>4.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
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
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/an/an/a>8.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50248034
PNG
(2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
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n/an/an/an/a 3.10E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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
G-protein coupled receptor 35


(Homo sapiens)
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
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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n/an/an/an/a>4.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444945
PNG
(CHEMBL3099771)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C32H31ClN4O5/c1-41-26-4-3-5-27(42-2)28(26)29-35-24(16-37(29)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)36-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,36,38)(H,39,40)
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n/an/an/an/a 4.60E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444946
PNG
(CHEMBL3099770)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C25H29N3O5/c1-15(2)13-18(25(30)31)27-24(29)19-14-28(17-11-9-16(3)10-12-17)23(26-19)22-20(32-4)7-6-8-21(22)33-5/h6-12,14-15,18H,13H2,1-5H3,(H,27,29)(H,30,31)/t18-/m0/s1
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n/an/an/an/a>8.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444947
PNG
(CHEMBL3099769)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C28H29N3O5/c1-17(2)15-20(28(33)34)30-27(32)21-16-31(22-12-7-10-18-9-5-6-11-19(18)22)26(29-21)25-23(35-3)13-8-14-24(25)36-4/h5-14,16-17,20H,15H2,1-4H3,(H,30,32)(H,33,34)/t20-/m0/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444948
PNG
(CHEMBL3099768)
Show SMILES CC(C)C[C@H](NC(=O)c1cn(c(n1)-c1c(C)cccc1C)-c1ccnc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C27H27ClN4O3/c1-15(2)12-21(27(34)35)31-26(33)22-14-32(25(30-22)24-16(3)6-5-7-17(24)4)23-10-11-29-20-13-18(28)8-9-19(20)23/h5-11,13-15,21H,12H2,1-4H3,(H,31,33)(H,34,35)/t21-/m0/s1
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n/an/an/an/a 9.20E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444949
PNG
(CHEMBL3099767)
Show SMILES CC(C)C[C@H](NC(=O)c1cn(c(n1)-c1c(Cl)cccc1Cl)-c1ccnc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C25H21Cl3N4O3/c1-13(2)10-19(25(34)35)31-24(33)20-12-32(23(30-20)22-16(27)4-3-5-17(22)28)21-8-9-29-18-11-14(26)6-7-15(18)21/h3-9,11-13,19H,10H2,1-2H3,(H,31,33)(H,34,35)/t19-/m0/s1
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n/an/an/an/a 5.20E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444950
PNG
(CHEMBL3099783)
Show SMILES COc1ccc(-c2nc(cn2-c2ccnc3cc(Cl)ccc23)C(=O)N[C@@H](CC(C)C)C(O)=O)c(OC)c1
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)11-21(27(34)35)31-26(33)22-14-32(23-9-10-29-20-12-16(28)5-7-18(20)23)25(30-22)19-8-6-17(36-3)13-24(19)37-4/h5-10,12-15,21H,11H2,1-4H3,(H,31,33)(H,34,35)/t21-/m0/s1
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n/an/an/an/a>8.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444951
PNG
(CHEMBL3099782)
Show SMILES CC(C)C[C@H](NC(=O)c1cn(c(n1)-c1ccccc1)-c1ccncc1)C(O)=O
Show InChI InChI=1S/C21H22N4O3/c1-14(2)12-17(21(27)28)24-20(26)18-13-25(16-8-10-22-11-9-16)19(23-18)15-6-4-3-5-7-15/h3-11,13-14,17H,12H2,1-2H3,(H,24,26)(H,27,28)/t17-/m0/s1
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n/an/an/an/a>8.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444952
PNG
(CHEMBL3099781)
Show SMILES COc1ccccc1-c1nc(cn1-c1ccncc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C22H24N4O4/c1-14(2)12-17(22(28)29)25-21(27)18-13-26(15-8-10-23-11-9-15)20(24-18)16-6-4-5-7-19(16)30-3/h4-11,13-14,17H,12H2,1-3H3,(H,25,27)(H,28,29)/t17-/m0/s1
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n/an/an/an/a>8.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444953
PNG
(CHEMBL3099780)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccncc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C23H26N4O5/c1-14(2)12-16(23(29)30)26-22(28)17-13-27(15-8-10-24-11-9-15)21(25-17)20-18(31-3)6-5-7-19(20)32-4/h5-11,13-14,16H,12H2,1-4H3,(H,26,28)(H,29,30)/t16-/m0/s1
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n/an/an/an/a 6.60E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444954
PNG
(CHEMBL3099779)
Show SMILES CC(C)C[C@H](NC(=O)c1cn(c(n1)-c1ccccc1)-c1ccnc2ccccc12)C(O)=O
Show InChI InChI=1S/C25H24N4O3/c1-16(2)14-20(25(31)32)28-24(30)21-15-29(23(27-21)17-8-4-3-5-9-17)22-12-13-26-19-11-7-6-10-18(19)22/h3-13,15-16,20H,14H2,1-2H3,(H,28,30)(H,31,32)/t20-/m0/s1
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n/an/an/an/a>8.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444955
PNG
(CHEMBL3099778)
Show SMILES COc1ccccc1-c1nc(cn1-c1ccnc2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C26H26N4O4/c1-16(2)14-20(26(32)33)29-25(31)21-15-30(22-12-13-27-19-10-6-4-8-17(19)22)24(28-21)18-9-5-7-11-23(18)34-3/h4-13,15-16,20H,14H2,1-3H3,(H,29,31)(H,32,33)/t20-/m0/s1
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n/an/an/an/a>8.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444956
PNG
(CHEMBL3099777)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C27H28N4O5/c1-16(2)14-19(27(33)34)30-26(32)20-15-31(21-12-13-28-18-9-6-5-8-17(18)21)25(29-20)24-22(35-3)10-7-11-23(24)36-4/h5-13,15-16,19H,14H2,1-4H3,(H,30,32)(H,33,34)/t19-/m0/s1
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n/an/an/an/a 3.80E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444957
PNG
(CHEMBL3099776)
Show SMILES CC(C)C[C@H](NC(=O)c1cn(c(n1)-c1ccccc1)-c1ccnc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C25H23ClN4O3/c1-15(2)12-20(25(32)33)29-24(31)21-14-30(23(28-21)16-6-4-3-5-7-16)22-10-11-27-19-13-17(26)8-9-18(19)22/h3-11,13-15,20H,12H2,1-2H3,(H,29,31)(H,32,33)/t20-/m0/s1
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n/an/an/an/a 7.20E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444958
PNG
(CHEMBL3099775)
Show SMILES COc1ccccc1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C26H25ClN4O4/c1-15(2)12-20(26(33)34)30-25(32)21-14-31(24(29-21)18-6-4-5-7-23(18)35-3)22-10-11-28-19-13-16(27)8-9-17(19)22/h4-11,13-15,20H,12H2,1-3H3,(H,30,32)(H,33,34)/t20-/m0/s1
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n/an/an/an/a 5.60E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444959
PNG
(CHEMBL3099774)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@H](CC(C)C)C(O)=O
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-/m1/s1
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n/an/an/an/a 9.40E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444943
PNG
(CHEMBL3099773)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
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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n/an/an/an/a 2.00E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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
Neurotensin receptor


(Homo sapiens)
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
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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n/an/an/an/a>8.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR2 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
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
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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n/an/an/an/a<156n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 (unknown origin) expressed in CHO cells assessed as Ca2+ mobilization by Fluo-4 NW dye-based fluorescence assay


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)
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
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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n/an/an/an/a 750n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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
Neurotensin receptor


(Homo sapiens)
BDBM50444943
PNG
(CHEMBL3099773)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
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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n/an/an/an/a>8.00E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR2 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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)
BDBM50444943
PNG
(CHEMBL3099773)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
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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n/an/an/an/a 298n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 (unknown origin) expressed in CHO cells assessed as Ca2+ mobilization by Fluo-4 NW dye-based fluorescence assay


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)
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
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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n/an/an/an/a>3.30E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 (unknown origin) expressed in CHO-K1 cells coexpressing beta-arrestin/N-terminal deletion mutant of beta-galactosidase fusio...


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)
BDBM50444943
PNG
(CHEMBL3099773)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
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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n/an/an/an/a 6.10E+3n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 (unknown origin) expressed in CHO-K1 cells coexpressing beta-arrestin/N-terminal deletion mutant of beta-galactosidase fusio...


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)
BDBM50444944
PNG
(CHEMBL3099772)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C26H25ClN4O4/c1-15(2)12-21(26(33)34)29-25(32)20-14-23(18-6-4-5-7-24(18)35-3)31(30-20)22-10-11-28-19-13-16(27)8-9-17(19)22/h4-11,13-15,21H,12H2,1-3H3,(H,29,32)(H,33,34)/t21-/m1/s1
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n/an/an/an/a 970n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


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