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BDBM50313172 (R)-2-((S)-1-ethyl-4-(4-ethylphenethyl)-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide::CHEMBL1081210

SMILES: CCc1ccc(CC[C@@H]2N(CCc3c2c(C)nn3CC)[C@@H](C(=O)NC)c2ccccc2)cc1

InChI Key: InChIKey=PPAKYKQRBNRNGC-RPLLCQBOSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50313172   
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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50313172
PNG
((R)-2-((S)-1-ethyl-4-(4-ethylphenethyl)-3-methyl-6...)
Show SMILES CCc1ccc(CC[C@@H]2N(CCc3c2c(C)nn3CC)[C@@H](C(=O)NC)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H36N4O/c1-5-21-12-14-22(15-13-21)16-17-24-26-20(3)30-32(6-2)25(26)18-19-31(24)27(28(33)29-4)23-10-8-7-9-11-23/h7-15,24,27H,5-6,16-19H2,1-4H3,(H,29,33)/t24-,27+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 1539-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.070
BindingDB Entry DOI: 10.7270/Q2FB5324
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50313172
PNG
((R)-2-((S)-1-ethyl-4-(4-ethylphenethyl)-3-methyl-6...)
Show SMILES CCc1ccc(CC[C@@H]2N(CCc3c2c(C)nn3CC)[C@@H](C(=O)NC)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H36N4O/c1-5-21-12-14-22(15-13-21)16-17-24-26-20(3)30-32(6-2)25(26)18-19-31(24)27(28(33)29-4)23-10-8-7-9-11-23/h7-15,24,27H,5-6,16-19H2,1-4H3,(H,29,33)/t24-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 1539-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.070
BindingDB Entry DOI: 10.7270/Q2FB5324
More data for this
Ligand-Target Pair