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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 3662,50006057,50007167   
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


(Homo sapiens (human))
BDBM50391432
PNG
(CHEMBL2146615)
Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC
Show InChI InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1
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Article
PubMed
n/an/an/a 0.180n/an/an/an/an/a



Medical University of Vienna

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1 expressed in COS7 cells


Bioorg Med Chem 20: 5936-40 (2012)


Article DOI: 10.1016/j.bmc.2012.07.051
BindingDB Entry DOI: 10.7270/Q2KP8376
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50331161
PNG
(4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-i...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1
Show InChI InChI=1S/C25H26N4O2/c30-25-17-23(31-19-20-6-2-1-3-7-20)10-13-28(25)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h1-3,6-10,13,16-18H,4-5,11-12,14-15,19H2
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n/an/an/a 1.42n/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to MCH-1 receptor


Bioorg Med Chem Lett 20: 7024-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.122
BindingDB Entry DOI: 10.7270/Q2XP7569
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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n/an/an/a 10n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by Schild experiment


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair