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BDBM184065 US9150566, 103

SMILES: Cc1cc(c(cc1Cl)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1

InChI Key: InChIKey=UMVDIYYEKWWNEU-LJQANCHMSA-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 = 184065   
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))
BDBM184065
PNG
(US9150566, 103)
Show SMILES Cc1cc(c(cc1Cl)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-11-22(31-27-7-8-28-31)20(14-21(16)24)23(32)29-9-10-33-15-19(29)13-17-3-2-4-18(12-17)30-25-5-6-26-30/h2-8,11-12,14,19H,9-10,13,15H2,1H3/t19-/m1/s1
PDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 47n/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))
BDBM184065
PNG
(US9150566, 103)
Show SMILES Cc1cc(c(cc1Cl)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-11-22(31-27-7-8-28-31)20(14-21(16)24)23(32)29-9-10-33-15-19(29)13-17-3-2-4-18(12-17)30-25-5-6-26-30/h2-8,11-12,14,19H,9-10,13,15H2,1H3/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/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