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BDBM50215629 1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-(diisopropylamino)ethyl)-3-(3-nitrophenyl)urea::CHEMBL229716

SMILES: CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(c1)[N+]([O-])=O)C(C)C

InChI Key: InChIKey=IUOYHGLIKWPUSP-SMXXFVJNSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50215629   
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))
BDBM50215629
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(c1)[N+]([O-])=O)C(C)C |w:12.13|
Show InChI InChI=1S/C29H37N5O3/c1-20(2)32(21(3)4)13-14-33(28(35)31-25-9-6-10-27(17-25)34(36)37)26-11-12-29(18-24(29)16-26)23-8-5-7-22(15-23)19-30/h5-10,15,17,20-21,24,26H,11-14,16,18H2,1-4H3,(H,31,35)/t24?,26-,29-/m1/s1
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Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Universidad de Cartagena

Curated by ChEMBL


Assay Description
Antagonist activity at MCH1 receptor


Eur J Med Chem 45: 4509-22 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.011
BindingDB Entry DOI: 10.7270/Q2FT8N9V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215629
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(c1)[N+]([O-])=O)C(C)C |w:12.13|
Show InChI InChI=1S/C29H37N5O3/c1-20(2)32(21(3)4)13-14-33(28(35)31-25-9-6-10-27(17-25)34(36)37)26-11-12-29(18-24(29)16-26)23-8-5-7-22(15-23)19-30/h5-10,15,17,20-21,24,26H,11-14,16,18H2,1-4H3,(H,31,35)/t24?,26-,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair