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SMILES: CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12

InChI Key: InChIKey=WFKZKRWZCHJQIT-RUZDIDTESA-N

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 = 50360683   
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 2


(Homo sapiens (Human))
BDBM50360683
PNG
(CHEMBL1934130)
Show SMILES CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N4O2/c1-19(34)31-25-17-29(24-8-4-2-7-22(24)25)12-14-32(15-13-29)18-20-10-11-27-23(16-20)21-6-3-5-9-26(21)33(27)28(30)35/h2-11,16,25H,12-15,17-18H2,1H3,(H2,30,35)(H,31,34)/t25-/m1/s1
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13n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(1'-((9-ethyl-9H-carbazol-3-yl)methyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetamide from human MCHR2 expressed in HE...


Bioorg Med Chem Lett 22: 363-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.125
BindingDB Entry DOI: 10.7270/Q2VD6ZW1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50360683
PNG
(CHEMBL1934130)
Show SMILES CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N4O2/c1-19(34)31-25-17-29(24-8-4-2-7-22(24)25)12-14-32(15-13-29)18-20-10-11-27-23(16-20)21-6-3-5-9-26(21)33(27)28(30)35/h2-11,16,25H,12-15,17-18H2,1H3,(H2,30,35)(H,31,34)/t25-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor


Bioorg Med Chem Lett 22: 363-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.125
BindingDB Entry DOI: 10.7270/Q2VD6ZW1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50360683
PNG
(CHEMBL1934130)
Show SMILES CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N4O2/c1-19(34)31-25-17-29(24-8-4-2-7-22(24)25)12-14-32(15-13-29)18-20-10-11-27-23(16-20)21-6-3-5-9-26(21)33(27)28(30)35/h2-11,16,25H,12-15,17-18H2,1H3,(H2,30,35)(H,31,34)/t25-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin transporter


Bioorg Med Chem Lett 22: 363-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.125
BindingDB Entry DOI: 10.7270/Q2VD6ZW1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50360683
PNG
(CHEMBL1934130)
Show SMILES CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N4O2/c1-19(34)31-25-17-29(24-8-4-2-7-22(24)25)12-14-32(15-13-29)18-20-10-11-27-23(16-20)21-6-3-5-9-26(21)33(27)28(30)35/h2-11,16,25H,12-15,17-18H2,1H3,(H2,30,35)(H,31,34)/t25-/m1/s1
PDB
MMDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by rubidium [86Rb] efflux assay


Bioorg Med Chem Lett 22: 363-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.125
BindingDB Entry DOI: 10.7270/Q2VD6ZW1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 2


(Homo sapiens (Human))
BDBM50360683
PNG
(CHEMBL1934130)
Show SMILES CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N4O2/c1-19(34)31-25-17-29(24-8-4-2-7-22(24)25)12-14-32(15-13-29)18-20-10-11-27-23(16-20)21-6-3-5-9-26(21)33(27)28(30)35/h2-11,16,25H,12-15,17-18H2,1H3,(H2,30,35)(H,31,34)/t25-/m1/s1
Reactome pathway
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR2 receptor expressed in CHO cells assessed as inhibition of MCH-stimulated Ca2+ flux preincubated for 10 mins prior ...


Bioorg Med Chem Lett 22: 363-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.125
BindingDB Entry DOI: 10.7270/Q2VD6ZW1
More data for this
Ligand-Target Pair