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Compile Data Set for Download or QSAR

Found 11 hits of ki for monomerid = 50249134   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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0.300n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00633
BindingDB Entry DOI: 10.7270/Q26M3BS8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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0.316n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor (unknown origin)


Bioorg Med Chem Lett 25: 3451-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.012
BindingDB Entry DOI: 10.7270/Q2MW2JXN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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0.320n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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1.07n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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398n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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468n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
PDB
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501n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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933n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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1.00E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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1.00E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
PDB

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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair