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Compile Data Set for Download or QSAR

Found 632 hits with Last Name = 'mayer' and Initial = 's'   
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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158419
PNG
(US9029393, 97)
Show SMILES Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCCC1
Show InChI InChI=1S/C23H24FN5O/c1-27-19-13-16(23(30)28-11-5-3-2-4-6-12-28)7-9-18(19)22(26-27)20-14-25-21-10-8-17(24)15-29(20)21/h7-10,13-15H,2-6,11-12H2,1H3
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3n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50011298
PNG
(CHEMBL3260730 | US9029393, 101)
Show SMILES COC[C@H]1CCCN1C(=O)c1ccc2c(nn(C)c2c1)-c1cnc2ccc(cn12)C#N |r|
Show InChI InChI=1S/C23H22N6O2/c1-27-19-10-16(23(30)28-9-3-4-17(28)14-31-2)6-7-18(19)22(26-27)20-12-25-21-8-5-15(11-24)13-29(20)21/h5-8,10,12-13,17H,3-4,9,14H2,1-2H3/t17-/m1/s1
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3n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158417
PNG
(US9029393, 79)
Show SMILES Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCC1
Show InChI InChI=1S/C22H22FN5O/c1-26-18-12-15(22(29)27-10-4-2-3-5-11-27)6-8-17(18)21(25-26)19-13-24-20-9-7-16(23)14-28(19)20/h6-9,12-14H,2-5,10-11H2,1H3
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4n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50011299
PNG
(CHEMBL3260731 | US9029393, 113)
Show SMILES Fc1ccc2ncc(-c3noc4cc(ccc34)C(=O)N3CCCCCC3)n2c1
Show InChI InChI=1S/C21H19FN4O2/c22-15-6-8-19-23-12-17(26(19)13-15)20-16-7-5-14(11-18(16)28-24-20)21(27)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2
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4n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM18049
PNG
(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)
Show SMILES Cc1cc(CSC(=N)NC(N)=N)c(C)cc1CSC(=N)NC(N)=N
Show InChI InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22)
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PubMed
11.5 -45.3n/an/an/an/an/a7.525



University of Prince Edward Island



Assay Description
The oxidation of NADPH was monitored at 340 nm using a Molecular Devices SpectraMax Plus 96-well microtiter plate reading spectrophotometer. Plots we...


J Med Chem 49: 6977-86 (2006)


Article DOI: 10.1021/jm060570v
BindingDB Entry DOI: 10.7270/Q2T43RCM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50011297
PNG
(CHEMBL3260729 | US9029393, 14)
Show SMILES Fc1ccc2ncc(C(=O)c3ccc(cc3)C(=O)N3CCCCCC3)n2c1
Show InChI InChI=1S/C21H20FN3O2/c22-17-9-10-19-23-13-18(25(19)14-17)20(26)15-5-7-16(8-6-15)21(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2
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12n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158420
PNG
(US9029393, 107)
Show SMILES Fc1ccc2ncc(-c3nn(Cc4ccccc4)c4cc(ccc34)C(=O)N3CCCCCC3)n2c1
Show InChI InChI=1S/C28H26FN5O/c29-22-11-13-26-30-17-25(33(26)19-22)27-23-12-10-21(28(35)32-14-6-1-2-7-15-32)16-24(23)34(31-27)18-20-8-4-3-5-9-20/h3-5,8-13,16-17,19H,1-2,6-7,14-15,18H2
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34n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158412
PNG
(US9029393, 24)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1Cl)C(=O)c1cnc2ccc(F)cn12
Show InChI InChI=1S/C23H23ClFN3O2/c1-2-27(17-6-4-3-5-7-17)23(30)18-10-8-15(12-19(18)24)22(29)20-13-26-21-11-9-16(25)14-28(20)21/h8-14,17H,2-7H2,1H3
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34n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158424
PNG
(US9029393, 132)
Show SMILES Fc1ccc2ncc(-n3nnc4cc(ccc34)C(=O)N3CCCCCC3)n2c1
Show InChI InChI=1S/C20H19FN6O/c21-15-6-8-18-22-12-19(26(18)13-15)27-17-7-5-14(11-16(17)23-24-27)20(28)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2
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72n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158426
PNG
(US9029393, 136)
Show SMILES Nc1nc(-c2cnc3ccc(F)cn23)c2ccc(cc2n1)C(=O)N1CCCCCC1
Show InChI InChI=1S/C22H21FN6O/c23-15-6-8-19-25-12-18(29(19)13-15)20-16-7-5-14(11-17(16)26-22(24)27-20)21(30)28-9-3-1-2-4-10-28/h5-8,11-13H,1-4,9-10H2,(H2,24,26,27)
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84n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158413
PNG
(US9029393, 30)
Show SMILES Nc1cc(ccc1C(=O)c1cnc2ccc(F)cn12)C(=O)N1CCCCCC1
Show InChI InChI=1S/C21H21FN4O2/c22-15-6-8-19-24-12-18(26(19)13-15)20(27)16-7-5-14(11-17(16)23)21(28)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10,23H2
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103n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158410
PNG
(US9029393, 10)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(Br)cn12
Show InChI InChI=1S/C23H24BrN3O2/c1-2-26(19-6-4-3-5-7-19)23(29)17-10-8-16(9-11-17)22(28)20-14-25-21-13-12-18(24)15-27(20)21/h8-15,19H,2-7H2,1H3
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108n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158414
PNG
(US9029393, 48)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1ccc(cc1)C(=O)c1cnc2ccccn12
Show InChI InChI=1S/C27H31N3O2/c31-26(24-19-28-25-13-7-8-18-29(24)25)20-14-16-21(17-15-20)27(32)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h7-8,13-19,22-23H,1-6,9-12H2
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138n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158422
PNG
(US9029393, 125)
Show SMILES O=C(N1CCOCC1)c1ccc2c(noc2c1)-c1cnc2ccc(cn12)[N+]#[C-]
Show InChI InChI=1S/C20H15N5O3/c1-21-14-3-5-18-22-11-16(25(18)12-14)19-15-4-2-13(10-17(15)28-23-19)20(26)24-6-8-27-9-7-24/h2-5,10-12H,6-9H2
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147n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158416
PNG
(US9029393, 71)
Show SMILES O=C(N1CCCc2ccccc12)c1ccc(cc1)C(=O)c1cnc2ccccn12
Show InChI InChI=1S/C24H19N3O2/c28-23(21-16-25-22-9-3-4-14-26(21)22)18-10-12-19(13-11-18)24(29)27-15-5-7-17-6-1-2-8-20(17)27/h1-4,6,8-14,16H,5,7,15H2
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171n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158409
PNG
(US9029393, 7)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(cn12)[N+]#[C-]
Show InChI InChI=1S/C24H24N4O2/c1-3-27(20-7-5-4-6-8-20)24(30)18-11-9-17(10-12-18)23(29)21-15-26-22-14-13-19(25-2)16-28(21)22/h9-16,20H,3-8H2,1H3
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171n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158418
PNG
(US9029393, 85)
Show SMILES Cn1nc(-c2cnc3ccc(cn23)C(F)(F)F)c2ccc(cc12)C(=O)N1CCCCCC1
Show InChI InChI=1S/C23H22F3N5O/c1-29-18-12-15(22(32)30-10-4-2-3-5-11-30)6-8-17(18)21(28-29)19-13-27-20-9-7-16(14-31(19)20)23(24,25)26/h6-9,12-14H,2-5,10-11H2,1H3
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177n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158415
PNG
(US9029393, 56)
Show SMILES CCN(C(=O)c1ccc(cc1)C(=O)c1cnc2ccccn12)c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c1-2-25(19-8-4-3-5-9-19)23(28)18-13-11-17(12-14-18)22(27)20-16-24-21-10-6-7-15-26(20)21/h3-16H,2H2,1H3
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188n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158423
PNG
(US9029393, 129)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc2nc(oc2c1)-c1cnc2ccccn12
Show InChI InChI=1S/C23H24N4O2/c1-2-26(17-8-4-3-5-9-17)23(28)16-11-12-18-20(14-16)29-22(25-18)19-15-24-21-10-6-7-13-27(19)21/h6-7,10-15,17H,2-5,8-9H2,1H3
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256n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158411
PNG
(US9029393, 23)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(nc1)C(=O)c1cnc2ccccn12
Show InChI InChI=1S/C22H24N4O2/c1-2-25(17-8-4-3-5-9-17)22(28)16-11-12-18(23-14-16)21(27)19-15-24-20-10-6-7-13-26(19)20/h6-7,10-15,17H,2-5,8-9H2,1H3
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264n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158421
PNG
(US9029393, 111)
Show SMILES CN1CCN(CC1)C(=O)n1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCC1
Show InChI InChI=1S/C27H30FN7O2/c1-31-12-14-33(15-13-31)27(37)35-22-16-19(26(36)32-10-4-2-3-5-11-32)6-8-21(22)25(30-35)23-17-29-24-9-7-20(28)18-34(23)24/h6-9,16-18H,2-5,10-15H2,1H3
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291n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158425
PNG
(US9029393, 134)
Show SMILES Fc1ccc2ncc(-c3c[nH]c4cc(ccc34)C(=O)N3CCCCCC3)n2c1
Show InChI InChI=1S/C22H21FN4O/c23-16-6-8-21-25-13-20(27(21)14-16)18-12-24-19-11-15(5-7-17(18)19)22(28)26-9-3-1-2-4-10-26/h5-8,11-14,24H,1-4,9-10H2
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348n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM158427
PNG
(US9029393, 139)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(Cl)nn12
Show InChI InChI=1S/C22H23ClN4O2/c1-2-26(17-6-4-3-5-7-17)22(29)16-10-8-15(9-11-16)21(28)18-14-24-20-13-12-19(23)25-27(18)20/h8-14,17H,2-7H2,1H3
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459n/an/an/an/an/an/an/an/a



Kaldi Pharma, SAS

US Patent


Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...


US Patent US9029393 (2015)


BindingDB Entry DOI: 10.7270/Q2D50KQH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332633
PNG
(CHEMBL1630806 | N-(4-Methylphenyl)-7-oxo-7,7a-dihy...)
Show SMILES Cc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,16H,10H2,1H3,(H,19,21)
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600n/an/an/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332634
PNG
(CHEMBL1630807 | N-(4-Methoxyphenyl)-7-oxo-7,7a-dih...)
Show SMILES COc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,16H,10H2,1H3,(H,19,21)
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800n/an/an/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332632
PNG
(CHEMBL1630805 | N-(4-Chlorophenyl)-7-oxo-7,7a-dihy...)
Show SMILES Clc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,15H,9H2,(H,19,21)
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1.00E+3n/an/an/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332631
PNG
(CHEMBL1630804 | N-(4-Fluorophenyl)-7-oxo-7,7a-dihy...)
Show SMILES Fc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C17H13FN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,15H,9H2,(H,19,21)
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6.60E+3n/an/an/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241077
PNG
(CHEMBL4060815)
PDB
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n/an/a 0.100n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241058
PNG
(CHEMBL4104440)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241013
PNG
(CHEMBL4066023)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425360
PNG
(CHEMBL2316207)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C35H33FN4O4/c36-31-13-11-28(22-32(31)39-35(43)24-4-2-1-3-5-24)38-27-10-12-29-25(20-27)8-6-23-7-9-26(21-30(23)33(29)41)34(42)37-14-15-40-16-18-44-19-17-40/h1-5,7,9-13,20-22,38H,6,8,14-19H2,(H,37,42)(H,39,43)
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n/an/a 0.200n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241078
PNG
(CHEMBL4073561)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425360
PNG
(CHEMBL2316207)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C35H33FN4O4/c36-31-13-11-28(22-32(31)39-35(43)24-4-2-1-3-5-24)38-27-10-12-29-25(20-27)8-6-23-7-9-26(21-30(23)33(29)41)34(42)37-14-15-40-16-18-44-19-17-40/h1-5,7,9-13,20-22,38H,6,8,14-19H2,(H,37,42)(H,39,43)
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n/an/a 0.200n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241059
PNG
(CHEMBL4069496)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241010
PNG
(CHEMBL4074237)
PDB
MMDB

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n/an/a 0.280n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241055
PNG
(CHEMBL4066347)
PDB
MMDB

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n/an/a 0.300n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241017
PNG
(CHEMBL4101643)
PDB
MMDB

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n/an/a 0.300n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241062
PNG
(CHEMBL4100394)
PDB
MMDB

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n/an/a 0.300n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425359
PNG
(CHEMBL2316490)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1
Show InChI InChI=1S/C32H30FN3O4S/c33-29-8-5-25(18-30(29)35-32(38)23-9-16-41-20-23)34-24-4-7-27-22(17-24)2-1-21-3-6-26(19-28(21)31(27)37)40-15-12-36-10-13-39-14-11-36/h3-9,16-20,34H,1-2,10-15H2,(H,35,38)
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n/an/a 0.300n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241014
PNG
(CHEMBL4087408)
PDB
MMDB

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n/an/a 0.400n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241020
PNG
(CHEMBL4072910)
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241061
PNG
(CHEMBL4089021)
PDB
MMDB

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n/an/a 0.400n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241060
PNG
(CHEMBL4096722)
PDB
MMDB

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n/an/a 0.400n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241032
PNG
(CHEMBL4082939)
PDB
MMDB

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n/an/a 0.400n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425384
PNG
(CHEMBL2316466)
Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1
Show InChI InChI=1S/C32H29F2N3O4S/c33-27-17-28(34)30(36-32(39)22-7-14-42-19-22)18-29(27)35-23-4-6-25-21(15-23)2-1-20-3-5-24(16-26(20)31(25)38)41-13-10-37-8-11-40-12-9-37/h3-7,14-19,35H,1-2,8-13H2,(H,36,39)
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n/an/a 0.5n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241016
PNG
(CHEMBL4077602)
PDB
MMDB

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n/an/a 0.5n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241037
PNG
(CHEMBL4076170)
PDB
MMDB

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n/an/a 0.600n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241027
PNG
(CHEMBL4064695)
PDB
MMDB

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n/an/a 0.600n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241000
PNG
(CHEMBL4092372)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand...


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241038
PNG
(CHEMBL4071095)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL




J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
More data for this
Ligand-Target Pair
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