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BDBM50191630 CHEMBL213673::rac-3-{cyclobutyl[4-(5-fluoro-1H-indol-3-yl)butyl]amino}-8-fluorochromane-5-carboxamide

SMILES: NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)C1CCC1

InChI Key: InChIKey=ZLUKFUCCMBNVOG-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50191630   
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))
BDBM50191630
PNG
(CHEMBL213673 | rac-3-{cyclobutyl[4-(5-fluoro-1H-in...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C26H29F2N3O2/c27-17-7-10-24-21(12-17)16(14-30-24)4-1-2-11-31(18-5-3-6-18)19-13-22-20(26(29)32)8-9-23(28)25(22)33-15-19/h7-10,12,14,18-19,30H,1-6,11,13,15H2,(H2,29,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50191630
PNG
(CHEMBL213673 | rac-3-{cyclobutyl[4-(5-fluoro-1H-in...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C26H29F2N3O2/c27-17-7-10-24-21(12-17)16(14-30-24)4-1-2-11-31(18-5-3-6-18)19-13-22-20(26(29)32)8-9-23(28)25(22)33-15-19/h7-10,12,14,18-19,30H,1-6,11,13,15H2,(H2,29,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50191630
PNG
(CHEMBL213673 | rac-3-{cyclobutyl[4-(5-fluoro-1H-in...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C26H29F2N3O2/c27-17-7-10-24-21(12-17)16(14-30-24)4-1-2-11-31(18-5-3-6-18)19-13-22-20(26(29)32)8-9-23(28)25(22)33-15-19/h7-10,12,14,18-19,30H,1-6,11,13,15H2,(H2,29,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by inhibition of 8-OH-DPAT-induced decrease in forskolin-stimulated cAMP production


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50191630
PNG
(CHEMBL213673 | rac-3-{cyclobutyl[4-(5-fluoro-1H-in...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show InChI InChI=1S/C26H29F2N3O2/c27-17-7-10-24-21(12-17)16(14-30-24)4-1-2-11-31(18-5-3-6-18)19-13-22-20(26(29)32)8-9-23(28)25(22)33-15-19/h7-10,12,14,18-19,30H,1-6,11,13,15H2,(H2,29,32)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5-HT transporter expressed in Jar cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair