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BDBM154931 US9000029, 10

SMILES: COc1ccc(cc1OC)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(SC)c1

InChI Key: InChIKey=KJPMTFYILXEFKW-KRWDZBQOSA-N

Data: 2 IC50

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 = 154931   
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))
BDBM154931
PNG
(US9000029, 10)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(SC)c1
Show InChI InChI=1S/C20H24N2O5S2/c1-26-18-10-9-16(13-19(18)27-2)29(24,25)22-11-5-8-17(22)20(23)21-14-6-4-7-15(12-14)28-3/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3,(H,21,23)/t17-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM154931
PNG
(US9000029, 10)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(SC)c1
Show InChI InChI=1S/C20H24N2O5S2/c1-26-18-10-9-16(13-19(18)27-2)29(24,25)22-11-5-8-17(22)20(23)21-14-6-4-7-15(12-14)28-3/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3,(H,21,23)/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 57n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair