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BDBM50417260 CHEMBL1271761

SMILES: Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C)n1Cc1ccco1

InChI Key: InChIKey=FFCHLPDCZLSLMW-UHFFFAOYSA-N

Data: 2 KI

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 = 50417260   
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 1


(Homo sapiens (Human))
BDBM50417260
PNG
(CHEMBL1271761)
Show SMILES Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C)n1Cc1ccco1
Show InChI InChI=1S/C21H20N4O3S/c1-14-6-3-4-8-18(14)22-19(26)13-29-21-24-23-20(17-9-11-27-15(17)2)25(21)12-16-7-5-10-28-16/h3-11H,12-13H2,1-2H3,(H,22,26)
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PC cid
PC sid
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Similars

Article
PubMed
>1.58E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 6405-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.090
BindingDB Entry DOI: 10.7270/Q2W37WKR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50417260
PNG
(CHEMBL1271761)
Show SMILES Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C)n1Cc1ccco1
Show InChI InChI=1S/C21H20N4O3S/c1-14-6-3-4-8-18(14)22-19(26)13-29-21-24-23-20(17-9-11-27-15(17)2)25(21)12-16-7-5-10-28-16/h3-11H,12-13H2,1-2H3,(H,22,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.58E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 6405-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.090
BindingDB Entry DOI: 10.7270/Q2W37WKR
More data for this
Ligand-Target Pair