BindingDB logo
myBDB logout

null

SMILES: CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(cc2)C(F)(F)F)c1

InChI Key: InChIKey=WOQNVEBUHZAZDX-KRWDZBQOSA-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 = 154929   
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))
BDBM154929
PNG
(US9000029, 8)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C19H19F3N2O3S2/c1-28-15-5-2-4-14(12-15)23-18(25)17-6-3-11-24(17)29(26,27)16-9-7-13(8-10-16)19(20,21)22/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,23,25)/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17n/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/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM154929
PNG
(US9000029, 8)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C19H19F3N2O3S2/c1-28-15-5-2-4-14(12-15)23-18(25)17-6-3-11-24(17)29(26,27)16-9-7-13(8-10-16)19(20,21)22/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,23,25)/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 63n/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