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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'busler' and Initial = 'de'   
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


(Homo sapiens (Human))
BDBM50168825
PNG
(1-(3-Chloro-4-fluoro-phenyl)-3-[2-(3'-cyano-biphen...)
Show SMILES CN(C)CCC(CNC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H26ClFN4O/c1-32(2)13-12-22(17-30-26(33)31-23-10-11-25(28)24(27)15-23)20-8-6-19(7-9-20)21-5-3-4-18(14-21)16-29/h3-11,14-15,22H,12-13,17H2,1-2H3,(H2,30,31,33)
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0.980n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50184924
PNG
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203355
PNG
(3-(3-chloro-4-fluorophenyl)-1-((1R,3R,6S)-6-(3-cya...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C29H35ClFN5O/c1-34-12-14-35(15-13-34)10-3-11-36(28(37)33-24-6-7-27(31)26(30)18-24)25-8-9-29(19-23(29)17-25)22-5-2-4-21(16-22)20-32/h2,4-7,16,18,23,25H,3,8-15,17,19H2,1H3,(H,33,37)/t23-,25+,29+/m0/s1
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4n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203346
PNG
(CHEMBL217574 | N-(7-(3-(3-chloro-4-fluorophenyl)-1...)
Show SMILES CN1CCN(CCCN(C2CCc3ccc(NC(C)=O)cc3C2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C27H35ClFN5O2/c1-19(35)30-22-6-4-20-5-8-24(17-21(20)16-22)34(11-3-10-33-14-12-32(2)13-15-33)27(36)31-23-7-9-26(29)25(28)18-23/h4,6-7,9,16,18,24H,3,5,8,10-15,17H2,1-2H3,(H,30,35)(H,31,36)
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6n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203352
PNG
(3-(3-chloro-4-fluorophenyl)-1-(7-cyano-1,2,3,4-tet...)
Show SMILES CN1CCN(CCCN(C2CCc3ccc(cc3C2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C26H31ClFN5O/c1-31-11-13-32(14-12-31)9-2-10-33(26(34)30-22-6-8-25(28)24(27)17-22)23-7-5-20-4-3-19(18-29)15-21(20)16-23/h3-4,6,8,15,17,23H,2,5,7,9-14,16H2,1H3,(H,30,34)
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8.5n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50164243
PNG
((R)-1-(3'-cyanobiphenyl-4-yl)-3-(4-fluoro-3-(trifl...)
Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2ccc(F)c(c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C27H24F4N4O2/c28-25-9-6-21(15-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203354
PNG
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)
Show SMILES CN1CCN(CCCN(C2CCc3ccc(cc3C2)[N+]([O-])=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C25H31ClFN5O3/c1-29-11-13-30(14-12-29)9-2-10-31(25(33)28-20-5-8-24(27)23(26)17-20)21-6-3-18-4-7-22(32(34)35)16-19(18)15-21/h4-5,7-8,16-17,21H,2-3,6,9-15H2,1H3,(H,28,33)
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11n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203347
PNG
(CHEMBL216460 | N-(7-(3-(3-chloro-4-fluorophenyl)-1...)
Show SMILES CC(C)C(=O)Nc1ccc2CCC(Cc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C29H39ClFN5O2/c1-20(2)28(37)32-23-7-5-21-6-9-25(18-22(21)17-23)36(12-4-11-35-15-13-34(3)14-16-35)29(38)33-24-8-10-27(31)26(30)19-24/h5,7-8,10,17,19-20,25H,4,6,9,11-16,18H2,1-3H3,(H,32,37)(H,33,38)
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61n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203357
PNG
(3-(3-chloro-4-fluorophenyl)-1-(7-methoxy-1,2,3,4-t...)
Show SMILES COc1ccc2CCC(Cc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C26H34ClFN4O2/c1-30-12-14-31(15-13-30)10-3-11-32(26(33)29-21-6-9-25(28)24(27)18-21)22-7-4-19-5-8-23(34-2)17-20(19)16-22/h5-6,8-9,17-18,22H,3-4,7,10-16H2,1-2H3,(H,29,33)
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92n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203349
PNG
(CHEMBL216267 | N-(7-(3-(3-chloro-4-fluorophenyl)-1...)
Show SMILES CN1CCN(CCCN(C2CCc3ccc(NS(C)(=O)=O)cc3C2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C26H35ClFN5O3S/c1-31-12-14-32(15-13-31)10-3-11-33(26(34)29-21-7-9-25(28)24(27)18-21)23-8-5-19-4-6-22(16-20(19)17-23)30-37(2,35)36/h4,6-7,9,16,18,23,30H,3,5,8,10-15,17H2,1-2H3,(H,29,34)
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96n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50241100
PNG
(1-(3-chloro-4-fluorophenyl)-3-{7-[(ethylcarbamoyl)...)
Show SMILES CCNC(=O)Nc1ccc2CCC(Cc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C28H38ClFN6O2/c1-3-31-27(37)32-22-7-5-20-6-9-24(18-21(20)17-22)36(12-4-11-35-15-13-34(2)14-16-35)28(38)33-23-8-10-26(30)25(29)19-23/h5,7-8,10,17,19,24H,3-4,6,9,11-16,18H2,1-2H3,(H,33,38)(H2,31,32,37)
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160n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203351
PNG
(1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(3...)
Show SMILES CN1CCN(CCCN(C2CCc3cc(Br)ccc3C2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C25H31BrClFN4O/c1-30-11-13-31(14-12-30)9-2-10-32(25(33)29-21-6-8-24(28)23(27)17-21)22-7-4-18-15-20(26)5-3-19(18)16-22/h3,5-6,8,15,17,22H,2,4,7,9-14,16H2,1H3,(H,29,33)
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180n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203348
PNG
(3-(3-chloro-4-fluorophenyl)-1-(6-methoxy-1,2,3,4-t...)
Show SMILES COc1ccc2CC(CCc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C26H34ClFN4O2/c1-30-12-14-31(15-13-30)10-3-11-32(26(33)29-21-6-9-25(28)24(27)18-21)22-7-4-20-17-23(34-2)8-5-19(20)16-22/h5-6,8-9,17-18,22H,3-4,7,10-16H2,1-2H3,(H,29,33)
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190n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203356
PNG
(1-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(3...)
Show SMILES CN1CCN(CCCN(C2CCc3ccc(N)cc3C2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C25H33ClFN5O/c1-30-11-13-31(14-12-30)9-2-10-32(25(33)29-21-6-8-24(27)23(26)17-21)22-7-4-18-3-5-20(28)15-19(18)16-22/h3,5-6,8,15,17,22H,2,4,7,9-14,16,28H2,1H3,(H,29,33)
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260n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203350
PNG
(3-(3-chloro-4-fluorophenyl)-1-(6-cyano-1,2,3,4-tet...)
Show SMILES CN1CCN(CCCN(C2CCc3cc(ccc3C2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C26H31ClFN5O/c1-31-11-13-32(14-12-31)9-2-10-33(26(34)30-22-6-8-25(28)24(27)17-22)23-7-5-20-15-19(18-29)3-4-21(20)16-23/h3-4,6,8,15,17,23H,2,5,7,9-14,16H2,1H3,(H,30,34)
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340n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203358
PNG
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)
Show SMILES CN1CCN(CCCN(C2CCc3ccccc3C2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C25H32ClFN4O/c1-29-13-15-30(16-14-29)11-4-12-31(22-9-7-19-5-2-3-6-20(19)17-22)25(32)28-21-8-10-24(27)23(26)18-21/h2-3,5-6,8,10,18,22H,4,7,9,11-17H2,1H3,(H,28,32)
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380n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203360
PNG
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)
Show SMILES CN1CCN(CCCN(C2CCc3ccc(cc3C2)S(C)(=O)=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C26H34ClFN4O3S/c1-30-12-14-31(15-13-30)10-3-11-32(26(33)29-21-6-9-25(28)24(27)18-21)22-7-4-19-5-8-23(36(2,34)35)17-20(19)16-22/h5-6,8-9,17-18,22H,3-4,7,10-16H2,1-2H3,(H,29,33)
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1.30E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203353
PNG
(7-(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiper...)
Show SMILES CN(C)S(=O)(=O)c1ccc2CCC(Cc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H37ClFN5O3S/c1-31(2)38(36,37)24-9-6-20-5-8-23(17-21(20)18-24)34(12-4-11-33-15-13-32(3)14-16-33)27(35)30-22-7-10-26(29)25(28)19-22/h6-7,9-10,18-19,23H,4-5,8,11-17H2,1-3H3,(H,30,35)
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3.00E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203359
PNG
(7-(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiper...)
Show SMILES CNS(=O)(=O)c1ccc2CCC(Cc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C26H35ClFN5O3S/c1-29-37(35,36)23-8-5-19-4-7-22(16-20(19)17-23)33(11-3-10-32-14-12-31(2)13-15-32)26(34)30-21-6-9-25(28)24(27)18-21/h5-6,8-9,17-18,22,29H,3-4,7,10-16H2,1-2H3,(H,30,34)
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery Inc.

Curated by ChEMBL


Assay Description
Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 1718-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.080
BindingDB Entry DOI: 10.7270/Q26H4H3Q
More data for this
Ligand-Target Pair