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BDBM50408199 CHEMBL88160

SMILES: CN(C)C(=O)c1cnc2n(C)nc(C)c2c1NCCCN1CCN(CC1)c1ccccc1OCC(F)(F)F

InChI Key: InChIKey=BSUZYOKJXFBXNY-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50408199   
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
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50408199
PNG
(CHEMBL88160)
Show SMILES CN(C)C(=O)c1cnc2n(C)nc(C)c2c1NCCCN1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N7O2/c1-18-22-23(19(25(37)33(2)3)16-31-24(22)34(4)32-18)30-10-7-11-35-12-14-36(15-13-35)20-8-5-6-9-21(20)38-17-26(27,28)29/h5-6,8-9,16H,7,10-15,17H2,1-4H3,(H,30,31)
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound's binding affinity against Alpha-2B adrenergic receptor from rat kidney homogenate in the presence of phentolamine


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50408199
PNG
(CHEMBL88160)
Show SMILES CN(C)C(=O)c1cnc2n(C)nc(C)c2c1NCCCN1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N7O2/c1-18-22-23(19(25(37)33(2)3)16-31-24(22)34(4)32-18)30-10-7-11-35-12-14-36(15-13-35)20-8-5-6-9-21(20)38-17-26(27,28)29/h5-6,8-9,16H,7,10-15,17H2,1-4H3,(H,30,31)
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PC sid
UniChem

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Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound's binding affinity against Dopamine receptor D2


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50408199
PNG
(CHEMBL88160)
Show SMILES CN(C)C(=O)c1cnc2n(C)nc(C)c2c1NCCCN1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N7O2/c1-18-22-23(19(25(37)33(2)3)16-31-24(22)34(4)32-18)30-10-7-11-35-12-14-36(15-13-35)20-8-5-6-9-21(20)38-17-26(27,28)29/h5-6,8-9,16H,7,10-15,17H2,1-4H3,(H,30,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound's binding affinity against 5-hydroxytryptamine 1A receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair