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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50063293'   
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


(Rattus norvegicus (rat))		BDBM50063293
PNG
(CHEMBL165689 | Pyrimidin-2-yl-{4-[2-(2,3,5,6-tetra...)
Show SMILES C(CN1CCN(CC1)c1cnccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.2,-6.02,;10.04,-7.31,;11.58,-7.23,;12.42,-8.52,;13.96,-8.45,;14.65,-7.08,;13.82,-5.79,;12.28,-5.86,;16.19,-6.98,;16.87,-5.63,;18.39,-5.54,;19.25,-6.82,;18.55,-8.17,;17.01,-8.27,;7.67,-6.1,;6.83,-4.81,;5.3,-4.88,;4.6,-6.25,;5.44,-7.54,;6.97,-7.47,;3.06,-6.31,;2.22,-5.02,;.7,-5.11,;-.13,-3.81,;.57,-2.43,;2.11,-2.36,;2.94,-3.66,)|
Show InChI InChI=1S/C20H29N7/c1-7-23-20(24-8-1)25-18-4-2-17(3-5-18)6-11-26-12-14-27(15-13-26)19-16-21-9-10-22-19/h1,7-10,16-18H,2-6,11-15H2,(H,23,24,25)/t17-,18-
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents
Article
PubMed
 29n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined by measuring its ability to displace [3H]-8-OH-DPAT radioligand in 5-hydroxytryptamine 1A recepto...

J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair