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BDBM50017434 4-{4-[4-(3-trifluoromethylphenyl)hexahydro-1-pyrazinyl]butyl}-5-sulfo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-3-one::CHEMBL542293

SMILES: FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1

InChI Key: InChIKey=VLSLCAFEPIBHBX-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017434   
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


(Rattus norvegicus (rat))		BDBM50017434
PNG
(4-{4-[4-(3-trifluoromethylphenyl)hexahydro-1-pyraz...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:25,(15.77,-8.73,;14.27,-8.35,;14.27,-6.8,;15.61,-7.56,;13.2,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.69,-10.36,;11.66,-9.17,;9.17,-10.09,;8.18,-11.28,;6.66,-11.01,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.92,;-6.68,-9.95,;-5.24,-9.41,;-1.06,-9.66,;.13,-8.7,;-2.02,-8.44,;7.12,-8.38,;8.64,-8.66,)|
Show InChI InChI=1S/C25H30F3N3O3S/c26-25(27,28)16-4-3-5-17(14-16)30-12-10-29(11-13-30)8-1-2-9-31-24(32)22-18-6-7-19(21-15-20(18)21)23(22)35(31,33)34/h3-7,14,18-23H,1-2,8-13,15H2
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PC cid
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Similars
PubMed
 4n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 3 -5

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair