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BDBM154935 US9000029, 14

SMILES: CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1

InChI Key: InChIKey=IZEZMFABUYWQOT-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 = 154935   
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))
BDBM154935
PNG
(US9000029, 14)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C18H18Cl2N2O3S2/c1-26-13-5-2-4-12(10-13)21-18(23)17-6-3-9-22(17)27(24,25)14-7-8-15(19)16(20)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM154935
PNG
(US9000029, 14)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C18H18Cl2N2O3S2/c1-26-13-5-2-4-12(10-13)21-18(23)17-6-3-9-22(17)27(24,25)14-7-8-15(19)16(20)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(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 7n/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