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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'gordon' and Initial = 'dw'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301770
PNG
((R)-3-methyl-6-(2-methylpiperazin-1-yl)-2-((2-(tri...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-12-10-22-7-8-25(12)15-9-17(26)24(2)16(23-15)11-27-14-6-4-3-5-13(14)18(19,20)21/h3-6,9,12,22H,7-8,10-11H2,1-2H3/t12-/m1/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286792
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C34H45N5O5/c1-23(2)19-27(37-34(44)39-17-11-4-5-12-18-39)31(40)35-28(21-25-22-38(3)30-16-10-9-15-26(25)30)32(41)36-29(33(42)43)20-24-13-7-6-8-14-24/h6-10,13-16,22-23,27-29H,4-5,11-12,17-21H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t27-,28+,29+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286804
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O
Show InChI InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286800
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](CO)C(O)=O
Show InChI InChI=1S/C28H41N5O6/c1-18(2)14-21(31-28(39)33-12-8-4-5-9-13-33)25(35)29-22(26(36)30-23(17-34)27(37)38)15-19-16-32(3)24-11-7-6-10-20(19)24/h6-7,10-11,16,18,21-23,34H,4-5,8-9,12-15,17H2,1-3H3,(H,29,35)(H,30,36)(H,31,39)(H,37,38)/t21-,22+,23+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286795
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C37H48N6O5/c1-24(2)19-29(40-37(48)43-17-11-5-6-12-18-43)34(44)38-30(20-25-22-41(3)32-15-9-7-13-27(25)32)35(45)39-31(36(46)47)21-26-23-42(4)33-16-10-8-14-28(26)33/h7-10,13-16,22-24,29-31H,5-6,11-12,17-21H2,1-4H3,(H,38,44)(H,39,45)(H,40,48)(H,46,47)/t29-,30+,31+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286802
PNG
(3-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCC(O)=O
Show InChI InChI=1S/C28H41N5O5/c1-19(2)16-22(31-28(38)33-14-8-4-5-9-15-33)27(37)30-23(26(36)29-13-12-25(34)35)17-20-18-32(3)24-11-7-6-10-21(20)24/h6-7,10-11,18-19,22-23H,4-5,8-9,12-17H2,1-3H3,(H,29,36)(H,30,37)(H,31,38)(H,34,35)/t22-,23+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286791
PNG
(4-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C29H43N5O5/c1-20(2)17-23(32-29(39)34-15-8-4-5-9-16-34)28(38)31-24(27(37)30-14-10-13-26(35)36)18-21-19-33(3)25-12-7-6-11-22(21)25/h6-7,11-12,19-20,23-24H,4-5,8-10,13-18H2,1-3H3,(H,30,37)(H,31,38)(H,32,39)(H,35,36)/t23-,24+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286805
PNG
(CHEMBL170121 | [(R)-2-{(S)-2-[(Azepane-1-carbonyl)...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCC(O)=O
Show InChI InChI=1S/C27H39N5O5/c1-18(2)14-21(30-27(37)32-12-8-4-5-9-13-32)26(36)29-22(25(35)28-16-24(33)34)15-19-17-31(3)23-11-7-6-10-20(19)23/h6-7,10-11,17-18,21-22H,4-5,8-9,12-16H2,1-3H3,(H,28,35)(H,29,36)(H,30,37)(H,33,34)/t21-,22+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286793
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N5O7/c1-18(2)14-21(32-29(41)34-12-8-4-5-9-13-34)26(37)30-22(27(38)31-23(28(39)40)16-25(35)36)15-19-17-33(3)24-11-7-6-10-20(19)24/h6-7,10-11,17-18,21-23H,4-5,8-9,12-16H2,1-3H3,(H,30,37)(H,31,38)(H,32,41)(H,35,36)(H,39,40)/t21-,22+,23+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286801
PNG
(3-(3-{[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCc1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C35H47N5O5/c1-24(2)19-29(38-35(45)40-17-8-4-5-9-18-40)34(44)37-30(21-27-23-39(3)31-14-7-6-13-28(27)31)33(43)36-22-26-12-10-11-25(20-26)15-16-32(41)42/h6-7,10-14,20,23-24,29-30H,4-5,8-9,15-19,21-22H2,1-3H3,(H,36,43)(H,37,44)(H,38,45)(H,41,42)/t29-,30+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286798
PNG
(2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NC(C)(C)C(O)=O
Show InChI InChI=1S/C29H43N5O5/c1-19(2)16-22(31-28(39)34-14-10-6-7-11-15-34)25(35)30-23(26(36)32-29(3,4)27(37)38)17-20-18-33(5)24-13-9-8-12-21(20)24/h8-9,12-13,18-19,22-23H,6-7,10-11,14-17H2,1-5H3,(H,30,35)(H,31,39)(H,32,36)(H,37,38)/t22-,23+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286794
PNG
(2-{[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCc1nc(cs1)C(O)=O
Show InChI InChI=1S/C30H40N6O5S/c1-19(2)14-22(34-30(41)36-12-8-4-5-9-13-36)28(38)33-23(15-20-17-35(3)25-11-7-6-10-21(20)25)27(37)31-16-26-32-24(18-42-26)29(39)40/h6-7,10-11,17-19,22-23H,4-5,8-9,12-16H2,1-3H3,(H,31,37)(H,33,38)(H,34,41)(H,39,40)/t22-,23+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286803
PNG
((S)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)C(O)=O
Show InChI InChI=1S/C31H47N5O5/c1-20(2)16-24(34-31(41)36-14-10-6-7-11-15-36)28(37)32-25(29(38)33-26(30(39)40)17-21(3)4)18-22-19-35(5)27-13-9-8-12-23(22)27/h8-9,12-13,19-21,24-26H,6-7,10-11,14-18H2,1-5H3,(H,32,37)(H,33,38)(H,34,41)(H,39,40)/t24-,25+,26-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286797
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C29H42N6O6/c1-18(2)14-21(33-29(41)35-12-8-4-5-9-13-35)26(37)31-22(27(38)32-23(28(39)40)16-25(30)36)15-19-17-34(3)24-11-7-6-10-20(19)24/h6-7,10-11,17-18,21-23H,4-5,8-9,12-16H2,1-3H3,(H2,30,36)(H,31,37)(H,32,38)(H,33,41)(H,39,40)/t21-,22+,23+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286796
PNG
(5-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C30H45N5O5/c1-21(2)18-24(33-30(40)35-16-10-4-5-11-17-35)29(39)32-25(28(38)31-15-9-8-14-27(36)37)19-22-20-34(3)26-13-7-6-12-23(22)26/h6-7,12-13,20-21,24-25H,4-5,8-11,14-19H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)(H,36,37)/t24-,25+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50286799
PNG
(6-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCCCC(O)=O
Show InChI InChI=1S/C31H47N5O5/c1-22(2)19-25(34-31(41)36-17-11-4-5-12-18-36)30(40)33-26(29(39)32-16-10-6-7-15-28(37)38)20-23-21-35(3)27-14-9-8-13-24(23)27/h8-9,13-14,21-22,25-26H,4-7,10-12,15-20H2,1-3H3,(H,32,39)(H,33,40)(H,34,41)(H,37,38)/t25-,26+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301785
PNG
((R)-2-(2-chlorophenethyl)-3-methyl-6-(2-methylpipe...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C18H23ClN4O/c1-13-12-20-9-10-23(13)17-11-18(24)22(2)16(21-17)8-7-14-5-3-4-6-15(14)19/h3-6,11,13,20H,7-10,12H2,1-2H3/t13-/m1/s1
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n/an/an/an/a 21n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301786
PNG
((R)-3-methyl-2-(2-methylphenethyl)-6-(2-methylpipe...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2C)n1 |r|
Show InChI InChI=1S/C19H26N4O/c1-14-6-4-5-7-16(14)8-9-17-21-18(12-19(24)22(17)3)23-11-10-20-13-15(23)2/h4-7,12,15,20H,8-11,13H2,1-3H3/t15-/m1/s1
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n/an/an/an/a 26n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301787
PNG
((R)-3-methyl-6-(2-methylpiperazin-1-yl)-2-(2-(trif...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C19H23F3N4O/c1-13-12-23-9-10-26(13)17-11-18(27)25(2)16(24-17)8-7-14-5-3-4-6-15(14)19(20,21)22/h3-6,11,13,23H,7-10,12H2,1-2H3/t13-/m1/s1
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n/an/an/an/a 64n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301788
PNG
(6-methyl-3-(3-phenylpropyl)-2-(piperazin-1-yl)pyri...)
Show SMILES Cc1cc(=O)n(CCCc2ccccc2)c(n1)N1CCNCC1
Show InChI InChI=1S/C18H24N4O/c1-15-14-17(23)22(11-5-8-16-6-3-2-4-7-16)18(20-15)21-12-9-19-10-13-21/h2-4,6-7,14,19H,5,8-13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301789
PNG
(3-(3-(benzyloxy)propyl)-6-methyl-2-(piperazin-1-yl...)
Show SMILES Cc1cc(=O)n(CCCOCc2ccccc2)c(n1)N1CCNCC1
Show InChI InChI=1S/C19H26N4O2/c1-16-14-18(24)23(19(21-16)22-11-8-20-9-12-22)10-5-13-25-15-17-6-3-2-4-7-17/h2-4,6-7,14,20H,5,8-13,15H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301790
PNG
(2-(2-chlorophenethyl)-3-ethyl-6-(piperazin-1-yl)py...)
Show SMILES CCn1c(CCc2ccccc2Cl)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C18H23ClN4O/c1-2-23-16(8-7-14-5-3-4-6-15(14)19)21-17(13-18(23)24)22-11-9-20-10-12-22/h3-6,13,20H,2,7-12H2,1H3
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n/an/an/an/a 21n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301791
PNG
(3-methyl-6-(piperazin-1-yl)-2-((2-(trifluoromethyl...)
Show SMILES Cn1c(COc2ccccc2C(F)(F)F)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19F3N4O2/c1-23-15(11-26-13-5-3-2-4-12(13)17(18,19)20)22-14(10-16(23)25)24-8-6-21-7-9-24/h2-5,10,21H,6-9,11H2,1H3
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n/an/an/an/a 30n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301792
PNG
(2-((2-chlorophenoxy)methyl)-3-methyl-6-(piperazin-...)
Show SMILES Cn1c(COc2ccccc2Cl)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c1-20-15(11-23-13-5-3-2-4-12(13)17)19-14(10-16(20)22)21-8-6-18-7-9-21/h2-5,10,18H,6-9,11H2,1H3
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n/an/an/an/a 73n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301793
PNG
(3-methyl-6-(piperazin-1-yl)-2-(o-tolyloxymethyl)py...)
Show SMILES Cc1ccccc1OCc1nc(cc(=O)n1C)N1CCNCC1
Show InChI InChI=1S/C17H22N4O2/c1-13-5-3-4-6-14(13)23-12-16-19-15(11-17(22)20(16)2)21-9-7-18-8-10-21/h3-6,11,18H,7-10,12H2,1-2H3
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n/an/an/an/a 228n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301794
PNG
(3-methyl-6-(piperazin-1-yl)-2-((3-(trifluoromethyl...)
Show SMILES Cn1c(COc2cccc(c2)C(F)(F)F)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19F3N4O2/c1-23-15(11-26-13-4-2-3-12(9-13)17(18,19)20)22-14(10-16(23)25)24-7-5-21-6-8-24/h2-4,9-10,21H,5-8,11H2,1H3
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n/an/an/an/a 487n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301795
PNG
(2-((3-chlorophenoxy)methyl)-3-methyl-6-(piperazin-...)
Show SMILES Cn1c(COc2cccc(Cl)c2)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c1-20-15(11-23-13-4-2-3-12(17)9-13)19-14(10-16(20)22)21-7-5-18-6-8-21/h2-4,9-10,18H,5-8,11H2,1H3
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n/an/an/an/a 493n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301796
PNG
(3-((1-methyl-6-oxo-4-(piperazin-1-yl)-1,6-dihydrop...)
Show SMILES Cn1c(COc2cccc(c2)C#N)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19N5O2/c1-21-16(12-24-14-4-2-3-13(9-14)11-18)20-15(10-17(21)23)22-7-5-19-6-8-22/h2-4,9-10,19H,5-8,12H2,1H3
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n/an/an/an/a 319n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301797
PNG
(3-methyl-6-(piperazin-1-yl)-2-((4-(trifluoromethyl...)
Show SMILES Cn1c(COc2ccc(cc2)C(F)(F)F)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19F3N4O2/c1-23-15(11-26-13-4-2-12(3-5-13)17(18,19)20)22-14(10-16(23)25)24-8-6-21-7-9-24/h2-5,10,21H,6-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301798
PNG
(2-((4-chlorophenoxy)methyl)-3-methyl-6-(piperazin-...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c1-20-15(11-23-13-4-2-12(17)3-5-13)19-14(10-16(20)22)21-8-6-18-7-9-21/h2-5,10,18H,6-9,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301799
PNG
(2-((5-fluoro-2-methylphenoxy)methyl)-3-methyl-6-(p...)
Show SMILES Cc1ccc(F)cc1OCc1nc(cc(=O)n1C)N1CCNCC1
Show InChI InChI=1S/C17H21FN4O2/c1-12-3-4-13(18)9-14(12)24-11-16-20-15(10-17(23)21(16)2)22-7-5-19-6-8-22/h3-4,9-10,19H,5-8,11H2,1-2H3
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n/an/an/an/a 46n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301800
PNG
(2-((5-chloro-2-methylphenoxy)methyl)-3-methyl-6-(p...)
Show SMILES Cc1ccc(Cl)cc1OCc1nc(cc(=O)n1C)N1CCNCC1
Show InChI InChI=1S/C17H21ClN4O2/c1-12-3-4-13(18)9-14(12)24-11-16-20-15(10-17(23)21(16)2)22-7-5-19-6-8-22/h3-4,9-10,19H,5-8,11H2,1-2H3
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n/an/an/an/a 160n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301801
PNG
(2-((2-chloro-5-fluorophenoxy)methyl)-3-methyl-6-(p...)
Show SMILES Cn1c(COc2cc(F)ccc2Cl)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C16H18ClFN4O2/c1-21-15(10-24-13-8-11(18)2-3-12(13)17)20-14(9-16(21)23)22-6-4-19-5-7-22/h2-3,8-9,19H,4-7,10H2,1H3
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n/an/an/an/a 361n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301802
PNG
(3-((1-ethyl-6-oxo-4-(piperazin-1-yl)-1,6-dihydropy...)
Show SMILES CCn1c(COc2cccc(c2)C#N)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C18H21N5O2/c1-2-23-17(13-25-15-5-3-4-14(10-15)12-19)21-16(11-18(23)24)22-8-6-20-7-9-22/h3-5,10-11,20H,2,6-9,13H2,1H3
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n/an/an/an/a 112n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301784
PNG
((R)-2-(3-chlorophenethyl)-3-methyl-6-(2-methylpipe...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2cccc(Cl)c2)n1 |r|
Show InChI InChI=1S/C18H23ClN4O/c1-13-12-20-8-9-23(13)17-11-18(24)22(2)16(21-17)7-6-14-4-3-5-15(19)10-14/h3-5,10-11,13,20H,6-9,12H2,1-2H3/t13-/m1/s1
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n/an/an/an/a 26n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301783
PNG
((R)-3-methyl-6-(2-methylpiperazin-1-yl)-2-phenethy...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2)n1 |r|
Show InChI InChI=1S/C18H24N4O/c1-14-13-19-10-11-22(14)17-12-18(23)21(2)16(20-17)9-8-15-6-4-3-5-7-15/h3-7,12,14,19H,8-11,13H2,1-2H3/t14-/m1/s1
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n/an/an/an/a 262n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301782
PNG
(2-(3-chlorophenethyl)-3-methyl-6-(piperazin-1-yl)p...)
Show SMILES Cn1c(CCc2cccc(Cl)c2)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C17H21ClN4O/c1-21-15(6-5-13-3-2-4-14(18)11-13)20-16(12-17(21)23)22-9-7-19-8-10-22/h2-4,11-12,19H,5-10H2,1H3
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n/an/an/an/a 96n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301781
PNG
(3-methyl-2-phenethyl-6-(piperazin-1-yl)pyrimidin-4...)
Show SMILES Cn1c(CCc2ccccc2)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C17H22N4O/c1-20-15(8-7-14-5-3-2-4-6-14)19-16(13-17(20)22)21-11-9-18-10-12-21/h2-6,13,18H,7-12H2,1H3
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n/an/an/an/a 275n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301780
PNG
(6-methyl-2-((R)-2-methylpiperazin-1-yl)-3-(3-pheno...)
Show SMILES C[C@@H]1CNCCN1c1nc(C)cc(=O)n1CCCOc1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O2/c1-15-13-18(24)23(10-6-12-25-17-7-4-3-5-8-17)19(21-15)22-11-9-20-14-16(22)2/h3-5,7-8,13,16,20H,6,9-12,14H2,1-2H3/t16-/m1/s1
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n/an/an/an/a 163n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301779
PNG
(3-(3-(4-chlorophenoxy)propyl)-6-methyl-2-(piperazi...)
Show SMILES Cc1cc(=O)n(CCCOc2ccc(Cl)cc2)c(n1)N1CCNCC1
Show InChI InChI=1S/C18H23ClN4O2/c1-14-13-17(24)23(18(21-14)22-10-7-20-8-11-22)9-2-12-25-16-5-3-15(19)4-6-16/h3-6,13,20H,2,7-12H2,1H3
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n/an/an/an/a 899n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301803
PNG
(2-((2-chloro-5-fluorophenoxy)methyl)-3-ethyl-6-(pi...)
Show SMILES CCn1c(COc2cc(F)ccc2Cl)nc(cc1=O)N1CCNCC1
Show InChI InChI=1S/C17H20ClFN4O2/c1-2-23-16(11-25-14-9-12(19)3-4-13(14)18)21-15(10-17(23)24)22-7-5-20-6-8-22/h3-4,9-10,20H,2,5-8,11H2,1H3
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n/an/an/an/a 103n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301777
PNG
(3-(3-(2-chlorophenoxy)propyl)-6-methyl-2-(piperazi...)
Show SMILES Cc1cc(=O)n(CCCOc2ccccc2Cl)c(n1)N1CCNCC1
Show InChI InChI=1S/C18H23ClN4O2/c1-14-13-17(24)23(18(21-14)22-10-7-20-8-11-22)9-4-12-25-16-6-3-2-5-15(16)19/h2-3,5-6,13,20H,4,7-12H2,1H3
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n/an/an/an/a 56n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301776
PNG
(3-(3-(4-fluorophenoxy)propyl)-6-methyl-2-(piperazi...)
Show SMILES Cc1cc(=O)n(CCCOc2ccc(F)cc2)c(n1)N1CCNCC1
Show InChI InChI=1S/C18H23FN4O2/c1-14-13-17(24)23(18(21-14)22-10-7-20-8-11-22)9-2-12-25-16-5-3-15(19)4-6-16/h3-6,13,20H,2,7-12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301775
PNG
(3-(3-(3-fluorophenoxy)propyl)-6-methyl-2-(piperazi...)
Show SMILES Cc1cc(=O)n(CCCOc2cccc(F)c2)c(n1)N1CCNCC1
Show InChI InChI=1S/C18H23FN4O2/c1-14-12-17(24)23(18(21-14)22-9-6-20-7-10-22)8-3-11-25-16-5-2-4-15(19)13-16/h2,4-5,12-13,20H,3,6-11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301774
PNG
(3-(3-(2-fluorophenoxy)propyl)-6-methyl-2-(piperazi...)
Show SMILES Cc1cc(=O)n(CCCOc2ccccc2F)c(n1)N1CCNCC1
Show InChI InChI=1S/C18H23FN4O2/c1-14-13-17(24)23(18(21-14)22-10-7-20-8-11-22)9-4-12-25-16-6-3-2-5-15(16)19/h2-3,5-6,13,20H,4,7-12H2,1H3
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n/an/an/an/a 77n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301773
PNG
(6-methyl-3-(3-phenoxypropyl)-2-(piperazin-1-yl)pyr...)
Show SMILES Cc1cc(=O)n(CCCOc2ccccc2)c(n1)N1CCNCC1
Show InChI InChI=1S/C18H24N4O2/c1-15-14-17(23)22(18(20-15)21-11-8-19-9-12-21)10-5-13-24-16-6-3-2-4-7-16/h2-4,6-7,14,19H,5,8-13H2,1H3
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n/an/an/an/a 1.02E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301772
PNG
((R)-6-(2-methylpiperazin-1-yl)-2-(2-(2-(trifluorom...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-13-12-22-8-9-24(13)16-6-7-17(26)25(23-16)10-11-27-15-5-3-2-4-14(15)18(19,20)21/h2-7,13,22H,8-12H2,1H3/t13-/m1/s1
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n/an/an/an/a 47n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301771
PNG
(6-(3-chlorophenethyl)-3-methyl-2-(piperazin-1-yl)p...)
Show SMILES Cn1c(nc(CCc2cccc(Cl)c2)cc1=O)N1CCNCC1
Show InChI InChI=1S/C17H21ClN4O/c1-21-16(23)12-15(6-5-13-3-2-4-14(18)11-13)20-17(21)22-9-7-19-8-10-22/h2-4,11-12,19H,5-10H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50301770
PNG
((R)-3-methyl-6-(2-methylpiperazin-1-yl)-2-((2-(tri...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-12-10-22-7-8-25(12)15-9-17(26)24(2)16(23-15)11-27-14-6-4-3-5-13(14)18(19,20)21/h3-6,9,12,22H,7-8,10-11H2,1-2H3/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor transfected in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301770
PNG
((R)-3-methyl-6-(2-methylpiperazin-1-yl)-2-((2-(tri...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-12-10-22-7-8-25(12)15-9-17(26)24(2)16(23-15)11-27-14-6-4-3-5-13(14)18(19,20)21/h3-6,9,12,22H,7-8,10-11H2,1-2H3/t12-/m1/s1
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n/an/an/an/a>1.50E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor transfected in CHO K1 cells assessed as calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
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