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BDBM136340 US8859534, 26

SMILES: COc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1

InChI Key: InChIKey=HPURDCLYNFCGMW-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 = 136340   
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 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136340
PNG
(US8859534, 26)
Show SMILES COc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C28H30N4O3/c1-34-24-9-4-6-21(18-24)20-30-28(33)26-19-22-7-5-10-25(27(22)35-26)32-16-14-31(15-17-32)13-11-23-8-2-3-12-29-23/h2-10,12,18-19H,11,13-17,20H2,1H3,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

2.30n/an/an/an/an/an/an/an/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 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136340
PNG
(US8859534, 26)
Show SMILES COc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C28H30N4O3/c1-34-24-9-4-6-21(18-24)20-30-28(33)26-19-22-7-5-10-25(27(22)35-26)32-16-14-31(15-17-32)13-11-23-8-2-3-12-29-23/h2-10,12,18-19H,11,13-17,20H2,1H3,(H,30,33)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.910n/an/an/an/an/an/an/an/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