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BDBM50252590 4-Fluoro-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole::CHEMBL494078

SMILES: Fc1cccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c12

InChI Key: InChIKey=VMZQQRPOHNPIKW-WGSAOQKQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252590   
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


(Homo sapiens (Human))		BDBM50252590
PNG
(4-Fluoro-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazin...)
Show SMILES Fc1cccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c12 |r,wU:12.15,wD:9.8,(10.58,-8.48,;12.05,-8.02,;13.17,-9.06,;14.64,-8.6,;14.97,-7.11,;13.85,-6.08,;13.87,-4.54,;12.41,-4.05,;11.49,-5.28,;9.96,-5.27,;9.2,-3.93,;7.65,-3.91,;6.88,-5.24,;7.64,-6.58,;9.17,-6.59,;5.34,-5.23,;4.56,-6.56,;3.02,-6.54,;2.26,-5.21,;3.04,-3.88,;4.58,-3.88,;.73,-5.21,;-.03,-3.87,;-1.57,-3.86,;-2.35,-5.19,;-1.59,-6.54,;-2.06,-8.01,;-.81,-8.91,;.44,-8,;-.04,-6.53,;12.39,-6.53,)|
Show InChI InChI=1S/C26H29FN4/c27-22-3-1-5-24-26(22)21(17-29-24)18-7-9-19(10-8-18)30-13-15-31(16-14-30)25-6-2-4-23-20(25)11-12-28-23/h1-6,11-12,17-19,28-29H,7-10,13-16H2/t18-,19-
PDB

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UniProtKB/TrEMBL

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Similars
Article
PubMed
 22.2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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

Bioorg Med Chem 16: 6707-23 (2008)


Article DOI: 10.1016/j.bmc.2008.05.075
BindingDB Entry DOI: 10.7270/Q2GT5MZ4
More data for this
Ligand-Target Pair