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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'ahlgren' and Initial = 'c'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090762
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(=O)OC)c2C1
Show InChI InChI=1S/C17H25NO3/c1-5-9-18(12(2)3)13-10-15-14(17(19)20-4)7-6-8-16(15)21-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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0.320n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090763
PNG
((R)-3-{[4-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-but...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C27H39N3O4/c1-3-13-29(20-16-22-21(26(33)28-2)9-8-10-23(22)34-19-20)14-6-7-15-30-24(31)17-27(18-25(30)32)11-4-5-12-27/h8-10,20H,3-7,11-19H2,1-2H3,(H,28,33)
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0.340n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090756
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(=O)OC)c2C1
Show InChI InChI=1S/C19H27NO3/c1-3-11-20(14-7-4-5-8-14)15-12-17-16(19(21)22-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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0.480n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090772
PNG
((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...)
Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)
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2.37n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090770
PNG
((R)-Isopropyl-(5-methoxy-chroman-3-yl)-propyl-amin...)
Show SMILES CCCN(C(C)C)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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3.10n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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11.9n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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14n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090761
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C19H28N2O2/c1-3-11-21(14-7-4-5-8-14)15-12-17-16(19(22)20-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3,(H,20,22)
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18.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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64n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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98.4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090770
PNG
((R)-Isopropyl-(5-methoxy-chroman-3-yl)-propyl-amin...)
Show SMILES CCCN(C(C)C)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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134n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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397n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090758
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090758
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090758
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)
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>4.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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3.01E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A by measuring its ability to displace [3H]-raclopride from D2A receptor expressed in m...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090772
PNG
((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...)
Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)
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AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435891
PNG
(CHEMBL2391452)
Show SMILES COc1ccc(cc1)-c1cc(C)nn(CC(=O)Nc2ccc(Br)cc2)c1=O
Show InChI InChI=1S/C20H18BrN3O3/c1-13-11-18(14-3-9-17(27-2)10-4-14)20(26)24(23-13)12-19(25)22-16-7-5-15(21)6-8-16/h3-11H,12H2,1-2H3,(H,22,25)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435892
PNG
(CHEMBL2391451)
Show SMILES Cc1cc(NC(=O)c2ccc(Br)cc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C20H16Br2N4O3/c1-12-10-17(24-19(28)13-2-4-14(21)5-3-13)20(29)26(25-12)11-18(27)23-16-8-6-15(22)7-9-16/h2-10H,11H2,1H3,(H,23,27)(H,24,28)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435893
PNG
(CHEMBL2391450)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(C)nn(CC(=O)Nc2ccc(Br)cc2)c1=O
Show InChI InChI=1S/C21H19BrN4O4/c1-13-10-18(24-20(28)14-4-3-5-17(11-14)30-2)21(29)26(25-13)12-19(27)23-16-8-6-15(22)7-9-16/h3-11H,12H2,1-2H3,(H,23,27)(H,24,28)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435894
PNG
(CHEMBL2391449)
Show SMILES COc1ccc(Nc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1
Show InChI InChI=1S/C20H19BrN4O3/c1-13-11-18(22-15-7-9-17(28-2)10-8-15)20(27)25(24-13)12-19(26)23-16-5-3-14(21)4-6-16/h3-11,22H,12H2,1-2H3,(H,23,26)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435895
PNG
(CHEMBL2391448)
Show SMILES Cc1cc(N)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C13H13BrN4O2/c1-8-6-11(15)13(20)18(17-8)7-12(19)16-10-4-2-9(14)3-5-10/h2-6H,7,15H2,1H3,(H,16,19)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435896
PNG
(CHEMBL2391447)
Show SMILES COc1ccc(Nc2c(C(C)=O)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1
Show InChI InChI=1S/C22H21BrN4O4/c1-13-20(14(2)28)21(25-17-8-10-18(31-3)11-9-17)22(30)27(26-13)12-19(29)24-16-6-4-15(23)5-7-16/h4-11,25H,12H2,1-3H3,(H,24,29)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435897
PNG
(CHEMBL2391446)
Show SMILES COc1cccc(c1)C(=O)c1cc(C)nn(CC(=O)Nc2ccc(Br)cc2)c1=O
Show InChI InChI=1S/C21H18BrN3O4/c1-13-10-18(20(27)14-4-3-5-17(11-14)29-2)21(28)25(24-13)12-19(26)23-16-8-6-15(22)7-9-16/h3-11H,12H2,1-2H3,(H,23,26)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435898
PNG
(CHEMBL2391445)
Show SMILES Cc1ccc(=O)n(CC(=O)Nc2ccc(I)cc2)n1
Show InChI InChI=1S/C13H12IN3O2/c1-9-2-7-13(19)17(16-9)8-12(18)15-11-5-3-10(14)4-6-11/h2-7H,8H2,1H3,(H,15,18)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435899
PNG
(CHEMBL2391444)
Show SMILES CC1=NN(CC(=O)Nc2ccc(I)cc2)C(=O)CC1
Show InChI InChI=1S/C13H14IN3O2/c1-9-2-7-13(19)17(16-9)8-12(18)15-11-5-3-10(14)4-6-11/h3-6H,2,7-8H2,1H3,(H,15,18)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435900
PNG
(CHEMBL2391443)
Show SMILES Cc1cc(Cc2cccc(Cl)c2)c(=O)n(CC(=O)Nc2ccc(I)cc2)n1
Show InChI InChI=1S/C20H17ClIN3O2/c1-13-9-15(10-14-3-2-4-16(21)11-14)20(27)25(24-13)12-19(26)23-18-7-5-17(22)6-8-18/h2-9,11H,10,12H2,1H3,(H,23,26)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435901
PNG
(CHEMBL2391442)
Show SMILES COc1cc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)cc(OC)c1
Show InChI InChI=1S/C22H22IN3O4/c1-14-8-16(9-15-10-19(29-2)12-20(11-15)30-3)22(28)26(25-14)13-21(27)24-18-6-4-17(23)5-7-18/h4-8,10-12H,9,13H2,1-3H3,(H,24,27)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435902
PNG
(CHEMBL2391441)
Show SMILES Cc1cc(Cc2ccc(cc2)C#N)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-10-17(11-15-2-4-16(12-23)5-3-15)21(28)26(25-14)13-20(27)24-19-8-6-18(22)7-9-19/h2-10H,11,13H2,1H3,(H,24,27)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435903
PNG
(CHEMBL2391440)
Show SMILES Cc1cc(Cc2ccc(cc2)C(N)=O)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C21H19BrN4O3/c1-13-10-16(11-14-2-4-15(5-3-14)20(23)28)21(29)26(25-13)12-19(27)24-18-8-6-17(22)7-9-18/h2-10H,11-12H2,1H3,(H2,23,28)(H,24,27)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435904
PNG
(CHEMBL2391439)
Show SMILES Cc1cc(Cc2cccnc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C19H17BrN4O2/c1-13-9-15(10-14-3-2-8-21-11-14)19(26)24(23-13)12-18(25)22-17-6-4-16(20)5-7-17/h2-9,11H,10,12H2,1H3,(H,22,25)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435905
PNG
(CHEMBL2391438)
Show SMILES Cc1cc(Cc2cccc3ccccc23)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C24H20BrN3O2/c1-16-13-19(14-18-7-4-6-17-5-2-3-8-22(17)18)24(30)28(27-16)15-23(29)26-21-11-9-20(25)10-12-21/h2-13H,14-15H2,1H3,(H,26,29)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435906
PNG
(CHEMBL2391286)
Show SMILES Cc1cc(Cc2ccsc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C18H16BrN3O2S/c1-12-8-14(9-13-6-7-25-11-13)18(24)22(21-12)10-17(23)20-16-4-2-15(19)3-5-16/h2-8,11H,9-10H2,1H3,(H,20,23)
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PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435907
PNG
(CHEMBL2391285)
Show SMILES Cc1cc(Cc2ccoc2)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C18H16BrN3O3/c1-12-8-14(9-13-6-7-25-11-13)18(24)22(21-12)10-17(23)20-16-4-2-15(19)3-5-16/h2-8,11H,9-10H2,1H3,(H,20,23)
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PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435908
PNG
(CHEMBL2391284)
Show SMILES Cc1cc(Cc2ccc(cc2)C(F)(F)F)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C21H17BrF3N3O2/c1-13-10-15(11-14-2-4-16(5-3-14)21(23,24)25)20(30)28(27-13)12-19(29)26-18-8-6-17(22)7-9-18/h2-10H,11-12H2,1H3,(H,26,29)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
FML2_HUMAN


(Homo sapiens)
BDBM50435909
PNG
(CHEMBL2391283)
Show SMILES COc1cc(Cc2cc(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc(OC)c1
Show InChI InChI=1S/C22H22BrN3O4/c1-14-8-16(9-15-10-19(29-2)12-20(11-15)30-3)22(28)26(25-14)13-21(27)24-18-6-4-17(23)5-7-18/h4-8,10-12H,9,13H2,1-3H3,(H,24,27)
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PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization


Eur J Med Chem 64: 512-28 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.066
BindingDB Entry DOI: 10.7270/Q2N29ZBP
More data for this
Ligand-Target Pair
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