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BDBM50003937 CHEMBL3235731

SMILES: COc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1

InChI Key: InChIKey=AEMPUGZDRBBCME-TWYLJJHKNA-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 = 50003937   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50003937
PNG
(CHEMBL3235731)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1
Show InChI InChI=1/C22H34N4O3/c1-29-20-10-5-4-8-18(20)25-16-14-24(15-17-25)12-6-2-3-11-21(27)26-13-7-9-19(26)22(23)28/h4-5,8,10,19H,2-3,6-7,9,11-17H2,1H3,(H2,23,28)/t19-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50003937
PNG
(CHEMBL3235731)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1
Show InChI InChI=1/C22H34N4O3/c1-29-20-10-5-4-8-18(20)25-16-14-24(15-17-25)12-6-2-3-11-21(27)26-13-7-9-19(26)22(23)28/h4-5,8,10,19H,2-3,6-7,9,11-17H2,1H3,(H2,23,28)/t19-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair