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BDBM50252220 8-{4-[(1,4-trans)-4-(5-Fluoro-1H-indol-3-yl)-cyclohexyl]-piperazin-1-yl}-quinoline::CHEMBL481753

SMILES: Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1

InChI Key: InChIKey=KYRUDMLLMDKVOX-XYWHTSSQSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50252220   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50252220
PNG
(8-{4-[(1,4-trans)-4-(5-Fluoro-1H-indol-3-yl)-cyclo...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1
Show InChI InChI=1S/C27H29FN4/c28-21-8-11-25-23(17-21)24(18-30-25)19-6-9-22(10-7-19)31-13-15-32(16-14-31)26-5-1-3-20-4-2-12-29-27(20)26/h1-5,8,11-12,17-19,22,30H,6-7,9-10,13-16H2/t19-,22-
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.5n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50252220
PNG
(8-{4-[(1,4-trans)-4-(5-Fluoro-1H-indol-3-yl)-cyclo...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1
Show InChI InChI=1S/C27H29FN4/c28-21-8-11-25-23(17-21)24(18-30-25)19-6-9-22(10-7-19)31-13-15-32(16-14-31)26-5-1-3-20-4-2-12-29-27(20)26/h1-5,8,11-12,17-19,22,30H,6-7,9-10,13-16H2/t19-,22-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
39.3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5HTT reuptake site


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