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BDBM376840 US9920038, 1

SMILES: Cc1oc(C[C@H]2CCCCN2C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O

InChI Key: InChIKey=QLVFNJKLVRIPQN-MRXNPFEDSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 376840   
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 (OX1)


(Rattus norvegicus (Rat))
BDBM376840
PNG
(US9920038, 1)
Show SMILES Cc1oc(C[C@H]2CCCCN2C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
Show InChI InChI=1S/C22H27N5O3/c1-15-20(22(2,3)29)25-19(30-15)14-16-8-6-7-13-26(16)21(28)17-9-4-5-10-18(17)27-23-11-12-24-27/h4-5,9-12,16,29H,6-8,13-14H2,1-3H3/t16-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Montana State University



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2VQ350T
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM376840
PNG
(US9920038, 1)
Show SMILES Cc1oc(C[C@H]2CCCCN2C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
Show InChI InChI=1S/C22H27N5O3/c1-15-20(22(2,3)29)25-19(30-15)14-16-8-6-7-13-26(16)21(28)17-9-4-5-10-18(17)27-23-11-12-24-27/h4-5,9-12,16,29H,6-8,13-14H2,1-3H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Montana State University



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2VQ350T
More data for this
Ligand-Target Pair