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BDBM184007 US9150566, 44

SMILES: O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1nccs1)c1ccccc1-n1nccn1

InChI Key: InChIKey=FYEWZQAALXXWSM-LJQANCHMSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 184007   
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))
BDBM184007
PNG
(US9150566, 44)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1nccs1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H21N5O2S/c29-23(20-6-1-2-7-21(20)28-25-8-9-26-28)27-11-12-30-16-19(27)15-17-4-3-5-18(14-17)22-24-10-13-31-22/h1-10,13-14,19H,11-12,15-16H2/t19-/m1/s1
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Similars

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 US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM184007
PNG
(US9150566, 44)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1nccs1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H21N5O2S/c29-23(20-6-1-2-7-21(20)28-25-8-9-26-28)27-11-12-30-16-19(27)15-17-4-3-5-18(14-17)22-24-10-13-31-22/h1-10,13-14,19H,11-12,15-16H2/t19-/m1/s1
PDB
MMDB

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US Patent
n/an/a 2.00E+3n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...


US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM184007
PNG
(US9150566, 44)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1nccs1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H21N5O2S/c29-23(20-6-1-2-7-21(20)28-25-8-9-26-28)27-11-12-30-16-19(27)15-17-4-3-5-18(14-17)22-24-10-13-31-22/h1-10,13-14,19H,11-12,15-16H2/t19-/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 457n/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