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BDBM50164243 (R)-1-(3'-cyanobiphenyl-4-yl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(2-(3-hydroxypyrrolidin-1-yl)ethyl)urea::1-(3'-Cyano-biphenyl-4-yl)-3-(4-fluoro-3-trifluoromethyl-phenyl)-1-[2-((R)-3-hydroxy-pyrrolidin-1-yl)-ethyl]-urea::CHEMBL191393

SMILES: O[C@@H]1CCN(CCN(C(=O)Nc2ccc(F)c(c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1

InChI Key: InChIKey=HQHBDTOJHLOXRD-HSZRJFAPSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50164243   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
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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PubMed
8.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for human Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
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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PubMed
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


(Mus musculus)
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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9.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for mouse Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2


(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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>3.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for human Melanin concentrating hormone receptor 2


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
More data for this
Ligand-Target Pair