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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A (5-HT1A)' and Ligand = 'BDBM50240412'   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50240412
PNG
(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair