BindingDB logo
myBDB logout

BDBM184031 US9150566, 69

SMILES: C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1

InChI Key: InChIKey=FCVGUKJNRFNLDS-WIYYLYMNSA-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 = 184031   
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))
BDBM184031
PNG
(US9150566, 69)
Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-18(2)15-33-16-21(29)14-19-4-3-5-20(13-19)30-25-8-9-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 314n/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 US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM184031
PNG
(US9150566, 69)
Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-18(2)15-33-16-21(29)14-19-4-3-5-20(13-19)30-25-8-9-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.900n/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 US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair