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Compile Data Set for Download or QSAR

Found 834 hits with Last Name = 'acher' and Initial = 'f'   
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
Metabotropic glutamate receptor


(RAT)
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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10n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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13n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50034503
PNG
((1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-...)
Show SMILES N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
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110n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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340n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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470n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 4


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50079183
PNG
((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...)
Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
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900n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 4


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50271277
PNG
(1H-Indazole-7-carbonitrile | CHEMBL484298)
Show SMILES N#Cc1cccc2cn[nH]c12
Show InChI InChI=1S/C8H5N3/c9-4-6-2-1-3-7-5-10-11-8(6)7/h1-3,5H,(H,10,11)
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1.30E+4n/an/an/an/an/an/an/an/a



Université de Versailles

Curated by ChEMBL


Assay Description
Activity of rat brain recombinant nNOS assessed as L-arginine oxidation in presence of 10 uM (6R)-5,6,7,8-tetrahydro-L-biopterin


Bioorg Med Chem 16: 5962-73 (2008)


Article DOI: 10.1016/j.bmc.2008.04.056
BindingDB Entry DOI: 10.7270/Q2GB23VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50174516
PNG
(5-Amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxa...)
Show SMILES NC1(CC2ON=C(C2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)
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2.70E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR1 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50174519
PNG
((3aR,5R,6aR)-5-Amino-4,5,6,6a-tetrahydro-3aH-cyclo...)
Show SMILES N[C@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8+/m0/s1
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3.30E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR1 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50174516
PNG
(5-Amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxa...)
Show SMILES NC1(CC2ON=C(C2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)
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9.40E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR1 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50130516
PNG
((+/-)-(3aS*,5R*,6aS*)-5-amino-4,5,6,6a-tetrahydro-...)
Show SMILES N[C@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8-/m1/s1
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9.50E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR1 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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1.12E+5n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 4


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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1.13E+5n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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1.29E+5n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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8.38E+5n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 4


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50174517
PNG
(5-(2-Amino-2-carboxy-ethyl)-4,5-dihydro-isoxazole-...)
Show SMILES NC(CC1CC(=NO1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H10N2O5/c8-4(6(10)11)1-3-2-5(7(12)13)9-14-3/h3-4H,1-2,8H2,(H,10,11)(H,12,13)
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR1 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50174517
PNG
(5-(2-Amino-2-carboxy-ethyl)-4,5-dihydro-isoxazole-...)
Show SMILES NC(CC1CC(=NO1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H10N2O5/c8-4(6(10)11)1-3-2-5(7(12)13)9-14-3/h3-4H,1-2,8H2,(H,10,11)(H,12,13)
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR2 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50174515
PNG
((3aR,5S,6aR)-5-Amino-4,5,6,6a-tetrahydro-3aH-cyclo...)
Show SMILES N[C@@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR2 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50174515
PNG
((3aR,5S,6aR)-5-Amino-4,5,6,6a-tetrahydro-3aH-cyclo...)
Show SMILES N[C@@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR1 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50174517
PNG
(5-(2-Amino-2-carboxy-ethyl)-4,5-dihydro-isoxazole-...)
Show SMILES NC(CC1CC(=NO1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H10N2O5/c8-4(6(10)11)1-3-2-5(7(12)13)9-14-3/h3-4H,1-2,8H2,(H,10,11)(H,12,13)
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR4 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50079183
PNG
((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...)
Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


Article DOI: 10.1021/jm010323l
BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50174516
PNG
(5-Amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxa...)
Show SMILES NC1(CC2ON=C(C2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR4 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50130515
PNG
((3aS,5S,6aS)-5-Amino-4,5,6,6a-tetrahydro-3aH-cyclo...)
Show SMILES N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8+/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR1 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50174519
PNG
((3aR,5R,6aR)-5-Amino-4,5,6,6a-tetrahydro-3aH-cyclo...)
Show SMILES N[C@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8+/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR4 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50130515
PNG
((3aS,5S,6aS)-5-Amino-4,5,6,6a-tetrahydro-3aH-cyclo...)
Show SMILES N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8+/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR2 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50130515
PNG
((3aS,5S,6aS)-5-Amino-4,5,6,6a-tetrahydro-3aH-cyclo...)
Show SMILES N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8+/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR4 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50130516
PNG
((+/-)-(3aS*,5R*,6aS*)-5-amino-4,5,6,6a-tetrahydro-...)
Show SMILES N[C@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR4 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50174515
PNG
((3aR,5S,6aR)-5-Amino-4,5,6,6a-tetrahydro-3aH-cyclo...)
Show SMILES N[C@@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity for mGluR4 receptor expressed in CHO cells


J Med Chem 48: 6315-25 (2005)


Article DOI: 10.1021/jm0504499
BindingDB Entry DOI: 10.7270/Q2PC31X8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50112984
PNG
(CHEMBL3601428)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C58H79N15O9/c1-7-8-19-43(67-35(2)74)52(77)68-45-31-50(75)63-25-14-13-21-46(51(59)76)70(3)57(82)49(29-39-32-65-42-20-12-11-18-41(39)42)73(6)56(81)47(22-15-26-64-58(60)61)71(4)54(79)44(28-36-23-24-37-16-9-10-17-38(37)27-36)69-53(78)48(72(5)55(45)80)30-40-33-62-34-66-40/h9-12,16-18,20,23-24,27,32-34,43-49,65H,7-8,13-15,19,21-22,25-26,28-31H2,1-6H3,(H2,59,76)(H,62,66)(H,63,75)(H,67,74)(H,68,77)(H,69,78)(H4,60,61,64)/t43-,44-,45+,46+,47+,48+,49+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC4 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50235980
PNG
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Show SMILES CC(C)[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to human alphavbeta3 integrin receptor after 1 hr by competitive solid-phase binding ELISA


J Med Chem 57: 3410-7 (2014)


Article DOI: 10.1021/jm500092w
BindingDB Entry DOI: 10.7270/Q25T3N1W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50001759
PNG
(CHEMBL3233260)
Show SMILES COc1ccnc(NCCCOc2ccc(C[C@@H](CC(O)=O)NS(=O)(=O)c3ccc(C)cc3)cc2)c1
Show InChI InChI=1S/C26H31N3O6S/c1-19-4-10-24(11-5-19)36(32,33)29-21(17-26(30)31)16-20-6-8-22(9-7-20)35-15-3-13-27-25-18-23(34-2)12-14-28-25/h4-12,14,18,21,29H,3,13,15-17H2,1-2H3,(H,27,28)(H,30,31)/t21-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to human alphavbeta3 integrin receptor after 1 hr by competitive solid-phase binding ELISA


J Med Chem 57: 3410-7 (2014)


Article DOI: 10.1021/jm500092w
BindingDB Entry DOI: 10.7270/Q25T3N1W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50001758
PNG
(CHEMBL3233259)
Show SMILES COc1ccnc(NCCCOc2ccc(C[C@@H](CC(O)=O)NC(=O)c3ccc(OC(C)C)cc3)cc2)c1
Show InChI InChI=1S/C29H35N3O6/c1-20(2)38-25-11-7-22(8-12-25)29(35)32-23(18-28(33)34)17-21-5-9-24(10-6-21)37-16-4-14-30-27-19-26(36-3)13-15-31-27/h5-13,15,19-20,23H,4,14,16-18H2,1-3H3,(H,30,31)(H,32,35)(H,33,34)/t23-/m0/s1
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n/an/a 0.860n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to human alphavbeta3 integrin receptor after 1 hr by competitive solid-phase binding ELISA


J Med Chem 57: 3410-7 (2014)


Article DOI: 10.1021/jm500092w
BindingDB Entry DOI: 10.7270/Q25T3N1W
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50112890
PNG
(CHEMBL3600833)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC1 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50001762
PNG
(CHEMBL3233263)
Show SMILES COc1ccnc(NCCCOc2ccc(C[C@@H](CC(O)=O)NC(=O)c3ccc(F)cc3)cc2)c1
Show InChI InChI=1S/C26H28FN3O5/c1-34-23-11-13-29-24(17-23)28-12-2-14-35-22-9-3-18(4-10-22)15-21(16-25(31)32)30-26(33)19-5-7-20(27)8-6-19/h3-11,13,17,21H,2,12,14-16H2,1H3,(H,28,29)(H,30,33)(H,31,32)/t21-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to human alphavbeta3 integrin receptor after 1 hr by competitive solid-phase binding ELISA


J Med Chem 57: 3410-7 (2014)


Article DOI: 10.1021/jm500092w
BindingDB Entry DOI: 10.7270/Q25T3N1W
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50112894
PNG
(CHEMBL3600837)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-41(65-33(2)72)50(75)67-43-29-48(73)61-23-12-11-19-46(49(57)74)70(3)55(80)45(27-37-30-63-40-18-10-9-16-39(37)40)69-53(78)47(20-13-24-62-56(58)59)71(4)54(79)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-51(76)42(66-52(43)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H4,58,59,62)/t41-,42+,43+,44-,45+,46+,47+/m1/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC3 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 2n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1


J Med Chem 47: 1351-9 (2004)


Article DOI: 10.1021/jm031036f
BindingDB Entry DOI: 10.7270/Q2X63MCK
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 2n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells


J Med Chem 45: 1778-84 (2002)


Article DOI: 10.1021/jm011088+
BindingDB Entry DOI: 10.7270/Q2C53K55
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens)
BDBM50396754
PNG
(CHEMBL2172347)
Show SMILES COc1cc2CN(CCc3ccc(Cl)cc3)CCc2cc1O
Show InChI InChI=1S/C18H20ClNO2/c1-22-18-11-15-12-20(9-7-14(15)10-17(18)21)8-6-13-2-4-16(19)5-3-13/h2-5,10-11,21H,6-9,12H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2...


J Med Chem 55: 7614-22 (2012)


Article DOI: 10.1021/jm3006096
BindingDB Entry DOI: 10.7270/Q2W95B9V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50112887
PNG
(CHEMBL3600736)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC4 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC3 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC5 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50112892
PNG
(CHEMBL3600835)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)69-45-28-47(72)60-22-11-10-18-40(48(56)73)65-52(77)44(26-36-29-62-39-17-9-8-15-38(36)39)67-50(75)42(19-12-23-61-55(57)58)66-51(76)43(25-33-20-21-34-13-6-7-14-35(34)24-33)68-53(78)46(70(3)54(45)79)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,77)(H,66,76)(H,67,75)(H,68,78)(H,69,74)(H4,57,58,61)/t40-,41+,42-,43+,44-,45-,46-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC3 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50112890
PNG
(CHEMBL3600833)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC5 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50112887
PNG
(CHEMBL3600736)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC3 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50112894
PNG
(CHEMBL3600837)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-41(65-33(2)72)50(75)67-43-29-48(73)61-23-12-11-19-46(49(57)74)70(3)55(80)45(27-37-30-63-40-18-10-9-16-39(37)40)69-53(78)47(20-13-24-62-56(58)59)71(4)54(79)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-51(76)42(66-52(43)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H4,58,59,62)/t41-,42+,43+,44-,45+,46+,47+/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC1 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50112901
PNG
(CHEMBL3600912)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)68-45-29-48(73)61-23-12-11-19-41(49(57)74)66-51(76)43(27-37-30-63-40-18-10-9-16-39(37)40)67-52(77)46(20-13-24-62-56(58)59)70(3)54(79)44(26-34-21-22-35-14-7-8-15-36(35)25-34)69-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,76)(H,67,77)(H,68,75)(H,69,78)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC1 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
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