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BDBM50172436 (E)-N-(2-[1,4]Diazepan-1-yl-4-methyl-quinolin-6-yl)-3-(4-trifluoromethoxy-phenyl)-acrylamide::CHEMBL193473

SMILES: Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCCNCC1

InChI Key: InChIKey=RFQAEWCPAAHVMT-BJMVGYQFSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50172436   
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))
BDBM50172436
PNG
((E)-N-(2-[1,4]Diazepan-1-yl-4-methyl-quinolin-6-yl...)
Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCCNCC1
Show InChI InChI=1S/C25H25F3N4O2/c1-17-15-23(32-13-2-11-29-12-14-32)31-22-9-6-19(16-21(17)22)30-24(33)10-5-18-3-7-20(8-4-18)34-25(26,27)28/h3-10,15-16,29H,2,11-14H2,1H3,(H,30,33)/b10-5+
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PubMed
n/an/a 6.10n/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))
BDBM50172436
PNG
((E)-N-(2-[1,4]Diazepan-1-yl-4-methyl-quinolin-6-yl...)
Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCCNCC1
Show InChI InChI=1S/C25H25F3N4O2/c1-17-15-23(32-13-2-11-29-12-14-32)31-22-9-6-19(16-21(17)22)30-24(33)10-5-18-3-7-20(8-4-18)34-25(26,27)28/h3-10,15-16,29H,2,11-14H2,1H3,(H,30,33)/b10-5+
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PubMed
n/an/a 65n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50172436
PNG
((E)-N-(2-[1,4]Diazepan-1-yl-4-methyl-quinolin-6-yl...)
Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCCNCC1
Show InChI InChI=1S/C25H25F3N4O2/c1-17-15-23(32-13-2-11-29-12-14-32)31-22-9-6-19(16-21(17)22)30-24(33)10-5-18-3-7-20(8-4-18)34-25(26,27)28/h3-10,15-16,29H,2,11-14H2,1H3,(H,30,33)/b10-5+
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n/an/a 1.60E+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))
BDBM50172436
PNG
((E)-N-(2-[1,4]Diazepan-1-yl-4-methyl-quinolin-6-yl...)
Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCCNCC1
Show InChI InChI=1S/C25H25F3N4O2/c1-17-15-23(32-13-2-11-29-12-14-32)31-22-9-6-19(16-21(17)22)30-24(33)10-5-18-3-7-20(8-4-18)34-25(26,27)28/h3-10,15-16,29H,2,11-14H2,1H3,(H,30,33)/b10-5+
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PubMed
n/an/a 23n/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