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BDBM136359 US8859534, 45

SMILES: COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N2CCC2)n1

InChI Key: InChIKey=CIWOESWFVHEUMU-UHFFFAOYSA-N

Data: 2 KI

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 = 136359   
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
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136359
PNG
(US8859534, 45)
Show SMILES COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N2CCC2)n1
Show InChI InChI=1S/C24H28N4O3/c1-30-22-8-3-6-19(25-22)9-12-26-13-15-27(16-14-26)20-7-2-5-18-17-21(31-23(18)20)24(29)28-10-4-11-28/h2-3,5-8,17H,4,9-16H2,1H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.340n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136359
PNG
(US8859534, 45)
Show SMILES COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N2CCC2)n1
Show InChI InChI=1S/C24H28N4O3/c1-30-22-8-3-6-19(25-22)9-12-26-13-15-27(16-14-26)20-7-2-5-18-17-21(31-23(18)20)24(29)28-10-4-11-28/h2-3,5-8,17H,4,9-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.40n/an/an/an/an/an/a7.4n/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair