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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor' and Ligand = 'BDBM109784'   
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))
BDBM109784
PNG
(US8618299, 2 | US8618299, 3 | US8618299, 4)
Show SMILES Cn1c2C3CCCN3CCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C27H27N3O2/c1-28-25-16-20(9-10-22(25)23-12-14-29-13-5-8-24(29)27(23)28)30-15-11-21(17-26(30)31)32-18-19-6-3-2-4-7-19/h2-4,6-7,9-11,15-17,24H,5,8,12-14,18H2,1H3
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PC cid
PC sid
UniChem
US Patent
12.3n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8618299 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CJ9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM109784
PNG
(US8618299, 2 | US8618299, 3 | US8618299, 4)
Show SMILES Cn1c2C3CCCN3CCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C27H27N3O2/c1-28-25-16-20(9-10-22(25)23-12-14-29-13-5-8-24(29)27(23)28)30-15-11-21(17-26(30)31)32-18-19-6-3-2-4-7-19/h2-4,6-7,9-11,15-17,24H,5,8,12-14,18H2,1H3
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PC cid
PC sid
UniChem
US Patent
14.9n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8618299 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CJ9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM109784
PNG
(US8618299, 2 | US8618299, 3 | US8618299, 4)
Show SMILES Cn1c2C3CCCN3CCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C27H27N3O2/c1-28-25-16-20(9-10-22(25)23-12-14-29-13-5-8-24(29)27(23)28)30-15-11-21(17-26(30)31)32-18-19-6-3-2-4-7-19/h2-4,6-7,9-11,15-17,24H,5,8,12-14,18H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
17.3n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8618299 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CJ9
More data for this
Ligand-Target Pair