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BDBM136352 US8859534, 38

SMILES: CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1

InChI Key: InChIKey=CDVRIIKHWVFVFT-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 = 136352   
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...)
BDBM136352
PNG
(US8859534, 38)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
Show InChI InChI=1S/C27H32N4O3/c1-19(32)31-12-10-21-17-20(7-8-23(21)31)9-11-29-13-15-30(16-14-29)24-6-4-5-22-18-25(34-26(22)24)27(33)28(2)3/h4-8,17-18H,9-16H2,1-3H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.0640n/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 1B (5HT1B)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136352
PNG
(US8859534, 38)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
Show InChI InChI=1S/C27H32N4O3/c1-19(32)31-12-10-21-17-20(7-8-23(21)31)9-11-29-13-15-30(16-14-29)24-6-4-5-22-18-25(34-26(22)24)27(33)28(2)3/h4-8,17-18H,9-16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

1.60n/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