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BDBM50277130 (+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(cyclopropylmethyl)pyrimidin-2-amine::CHEMBL515438

SMILES: C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NCC2CC2)n1

InChI Key: InChIKey=DRZMEJAAZMHAGA-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50277130   
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))
BDBM50277130
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NCC2CC2)n1
Show InChI InChI=1S/C23H29N5/c1-2-6-22-20(5-1)18(15-25-22)10-13-28-12-3-4-19(16-28)21-9-11-24-23(27-21)26-14-17-7-8-17/h1-2,5-6,9,11,15,17,19,25H,3-4,7-8,10,12-14,16H2,(H,24,26,27)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277130
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NCC2CC2)n1
Show InChI InChI=1S/C23H29N5/c1-2-6-22-20(5-1)18(15-25-22)10-13-28-12-3-4-19(16-28)21-9-11-24-23(27-21)26-14-17-7-8-17/h1-2,5-6,9,11,15,17,19,25H,3-4,7-8,10,12-14,16H2,(H,24,26,27)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 147n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair