BindingDB logo
myBDB logout

null

SMILES: CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1)[C@@H](C)CO

InChI Key: InChIKey=TXPQYEZOXGNXCS-GCXYMYSSSA-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 2 hits for monomerid = 50215583   
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))
BDBM50215583
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)Nc1cc(Cl)nc(Cl)c1)[C@@H](C)CO |w:12.13|
Show InChI InChI=1S/C28H35Cl2N5O2/c1-18(2)34(19(3)17-36)9-10-35(27(37)32-23-13-25(29)33-26(30)14-23)24-7-8-28(15-22(28)12-24)21-6-4-5-20(11-21)16-31/h4-6,11,13-14,18-19,22,24,36H,7-10,12,15,17H2,1-3H3,(H,32,33,37)/t19-,22?,24+,28+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.60n/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 1


(Homo sapiens (Human))
BDBM50215583
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)Nc1cc(Cl)nc(Cl)c1)[C@@H](C)CO |w:12.13|
Show InChI InChI=1S/C28H35Cl2N5O2/c1-18(2)34(19(3)17-36)9-10-35(27(37)32-23-13-25(29)33-26(30)14-23)24-7-8-28(15-22(28)12-24)21-6-4-5-20(11-21)16-31/h4-6,11,13-14,18-19,22,24,36H,7-10,12,15,17H2,1-3H3,(H,32,33,37)/t19-,22?,24+,28+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.60n/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