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PubMed code 21802292

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353455
PNG
(CHEMBL1830049)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2N(CCc2c1)C1CNC1
Show InChI InChI=1S/C23H23N3O2/c27-23-13-21(28-16-17-4-2-1-3-5-17)9-11-26(23)19-6-7-22-18(12-19)8-10-25(22)20-14-24-15-20/h1-7,9,11-13,20,24H,8,10,14-16H2
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2.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353456
PNG
(CHEMBL1830050)
Show SMILES CN1CC(C1)N1CCc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H25N3O2/c1-25-15-21(16-25)26-11-9-19-13-20(7-8-23(19)26)27-12-10-22(14-24(27)28)29-17-18-5-3-2-4-6-18/h2-8,10,12-14,21H,9,11,15-17H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353453
PNG
(CHEMBL1830047)
Show SMILES FCCN1CC(C1)c1c[nH]c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H24FN3O2/c26-9-11-28-15-19(16-28)23-14-27-24-12-20(6-7-22(23)24)29-10-8-21(13-25(29)30)31-17-18-4-2-1-3-5-18/h1-8,10,12-14,19,27H,9,11,15-17H2
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4.30n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353457
PNG
(CHEMBL1830051)
Show SMILES FCCN1CC(C1)N1CCc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H26FN3O2/c26-10-13-27-16-22(17-27)28-11-8-20-14-21(6-7-24(20)28)29-12-9-23(15-25(29)30)31-18-19-4-2-1-3-5-19/h1-7,9,12,14-15,22H,8,10-11,13,16-18H2
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4.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353458
PNG
(CHEMBL1830052)
Show SMILES CN1CC(C1)N1CCc2cc(ccc12)-n1ccc(cc1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3O/c1-25-14-21(15-25)26-10-9-18-12-20(6-7-22(18)26)27-11-8-17(13-23(27)28)16-2-4-19(24)5-3-16/h2-8,11-13,21H,9-10,14-15H2,1H3
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4.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353452
PNG
(CHEMBL1830046)
Show SMILES COCCN1CC(C1)c1c[nH]c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C26H27N3O3/c1-31-12-11-28-16-20(17-28)24-15-27-25-13-21(7-8-23(24)25)29-10-9-22(14-26(29)30)32-18-19-5-3-2-4-6-19/h2-10,13-15,20,27H,11-12,16-18H2,1H3
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5.20n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353459
PNG
(CHEMBL1830053)
Show SMILES FCCN1CC(C1)N1CCc2cc(ccc12)-n1ccc(cc1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClFN3O/c25-20-3-1-17(2-4-20)18-7-11-29(24(30)14-18)21-5-6-23-19(13-21)8-10-28(23)22-15-27(16-22)12-9-26/h1-7,11,13-14,22H,8-10,12,15-16H2
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6.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353449
PNG
(CHEMBL1830043)
Show SMILES CN1CC(C1)c1c[nH]c2cc(ccc12)-n1ccc(OCc2ccccc2F)cc1=O
Show InChI InChI=1S/C24H22FN3O2/c1-27-13-17(14-27)21-12-26-23-10-18(6-7-20(21)23)28-9-8-19(11-24(28)29)30-15-16-4-2-3-5-22(16)25/h2-12,17,26H,13-15H2,1H3
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6.70n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353450
PNG
(CHEMBL1830044)
Show SMILES CN1CC(C1)c1c[nH]c2cc(ccc12)-n1ccc(cc1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O/c1-26-13-17(14-26)21-12-25-22-11-19(6-7-20(21)22)27-9-8-16(10-23(27)28)15-2-4-18(24)5-3-15/h2-12,17,25H,13-14H2,1H3
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7.80n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353454
PNG
(CHEMBL1830048)
Show SMILES Cn1cc(C2CN(CCF)C2)c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C25H23F2N3O/c1-28-16-23(19-14-29(15-19)11-9-26)22-7-6-21(13-24(22)28)30-10-8-18(12-25(30)31)17-2-4-20(27)5-3-17/h2-8,10,12-13,16,19H,9,11,14-15H2,1H3
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9n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353451
PNG
(CHEMBL1830045)
Show SMILES CN1CC(C1)c1cn(C)c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H25N3O2/c1-26-14-19(15-26)23-16-27(2)24-12-20(8-9-22(23)24)28-11-10-21(13-25(28)29)30-17-18-6-4-3-5-7-18/h3-13,16,19H,14-15,17H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)
BDBM50353448
PNG
(CHEMBL1830042)
Show SMILES CN1CC(C1)c1c[nH]c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H23N3O2/c1-26-14-18(15-26)22-13-25-23-11-19(7-8-21(22)23)27-10-9-20(12-24(27)28)29-16-17-5-3-2-4-6-17/h2-13,18,25H,14-16H2,1H3
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11n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-S36057 from rat MCH1 receptor


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50353448
PNG
(CHEMBL1830042)
Show SMILES CN1CC(C1)c1c[nH]c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H23N3O2/c1-26-14-18(15-26)22-13-25-23-11-19(7-8-21(22)23)27-10-9-20(12-24(27)28)29-16-17-5-3-2-4-6-17/h2-13,18,25H,14-16H2,1H3
PDB
MMDB

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n/an/a 1.20E+4n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 5310-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.020
BindingDB Entry DOI: 10.7270/Q2DJ5G0J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%