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BDBM50172438 CHEMBL194691::N-{2-[(1-Ethyl-pyrrolidin-2-ylmethyl)-amino]-4-methyl-quinolin-6-yl}-2-(4-trifluoromethoxy-phenoxy)-acetamide

SMILES: CCN1CCCC1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1

InChI Key: InChIKey=WTECJAHWHNJGGJ-UHFFFAOYSA-N

Data: 5 IC50

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 = 50172438   
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


(Homo sapiens (Human))
BDBM50172438
PNG
(CHEMBL194691 | N-{2-[(1-Ethyl-pyrrolidin-2-ylmethy...)
Show SMILES CCN1CCCC1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H29F3N4O3/c1-3-33-12-4-5-19(33)15-30-24-13-17(2)22-14-18(6-11-23(22)32-24)31-25(34)16-35-20-7-9-21(10-8-20)36-26(27,28)29/h6-11,13-14,19H,3-5,12,15-16H2,1-2H3,(H,30,32)(H,31,34)
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n/an/a 21n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 150p M [125I]-MCH from human MCH1R expressed in CHO-K1 cells


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
GPR145


(Homo sapiens (Human))
BDBM50172438
PNG
(CHEMBL194691 | N-{2-[(1-Ethyl-pyrrolidin-2-ylmethy...)
Show SMILES CCN1CCCC1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H29F3N4O3/c1-3-33-12-4-5-19(33)15-30-24-13-17(2)22-14-18(6-11-23(22)32-24)31-25(34)16-35-20-7-9-21(10-8-20)36-26(27,28)29/h6-11,13-14,19H,3-5,12,15-16H2,1-2H3,(H,30,32)(H,31,34)
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n/an/a>10n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH2R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50172438
PNG
(CHEMBL194691 | N-{2-[(1-Ethyl-pyrrolidin-2-ylmethy...)
Show SMILES CCN1CCCC1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H29F3N4O3/c1-3-33-12-4-5-19(33)15-30-24-13-17(2)22-14-18(6-11-23(22)32-24)31-25(34)16-35-20-7-9-21(10-8-20)36-26(27,28)29/h6-11,13-14,19H,3-5,12,15-16H2,1-2H3,(H,30,32)(H,31,34)
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n/an/a 4.70E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against human 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells using [3H]-mesulergine


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172438
PNG
(CHEMBL194691 | N-{2-[(1-Ethyl-pyrrolidin-2-ylmethy...)
Show SMILES CCN1CCCC1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H29F3N4O3/c1-3-33-12-4-5-19(33)15-30-24-13-17(2)22-14-18(6-11-23(22)32-24)31-25(34)16-35-20-7-9-21(10-8-20)36-26(27,28)29/h6-11,13-14,19H,3-5,12,15-16H2,1-2H3,(H,30,32)(H,31,34)
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n/an/a 8.70n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172438
PNG
(CHEMBL194691 | N-{2-[(1-Ethyl-pyrrolidin-2-ylmethy...)
Show SMILES CCN1CCCC1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H29F3N4O3/c1-3-33-12-4-5-19(33)15-30-24-13-17(2)22-14-18(6-11-23(22)32-24)31-25(34)16-35-20-7-9-21(10-8-20)36-26(27,28)29/h6-11,13-14,19H,3-5,12,15-16H2,1-2H3,(H,30,32)(H,31,34)
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n/an/a 109n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 10 nM MCH-induced IP3 accumulation in CHO-K1 cells expressing human MCH1R after incubation with [3H]-myo-inositol


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair