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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50316674'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50316674
PNG
(5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3c(C)cc(C)nc23)c2ncccc2c1
Show InChI InChI=1S/C30H34FN5O/c1-20-17-21(2)33-30-26(7-6-25(31)28(20)30)35-11-8-23(9-12-35)34-13-15-36(16-14-34)27-19-24(37-3)18-22-5-4-10-32-29(22)27/h4-7,10,17-19,23H,8-9,11-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
177n/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 expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50316674
PNG
(5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3c(C)cc(C)nc23)c2ncccc2c1
Show InChI InChI=1S/C30H34FN5O/c1-20-17-21(2)33-30-26(7-6-25(31)28(20)30)35-11-8-23(9-12-35)34-13-15-36(16-14-34)27-19-24(37-3)18-22-5-4-10-32-29(22)27/h4-7,10,17-19,23H,8-9,11-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A receptor expressed in CHO cells assessed as blockade of 8-OH-DPAT-induced inhibition of forskolin-stimulated incre...


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair