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Compile Data Set for Download or QSAR

Found 602 hits with Last Name = 'sang' and Initial = 'g'   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145347
PNG
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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 0.110n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Promotilin


(Homo sapiens (Human))		BDBM50143037
PNG
(CHEMBL411576 | MOTILIN)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O
Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
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 0.160n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50451852
PNG
(CHEMBL1159649)
Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145355
PNG
(1-{2-[4-(6,7-Dichloro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(Cl)c(Cl)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H25Cl2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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 0.280n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145343
PNG
(1-{2-[4-(6-Fluoro-benzofuran-3-yl)-3,6-dihydro-2H-...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3coc4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H25FN2O3/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29)
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 0.290n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145356
PNG
(1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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 0.300n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50366907
PNG
(CHEMBL1169435)
Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1
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 0.300n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145342
PNG
(1-{2-[4-(6-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(Cl)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H26ClN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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 0.380n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Promotilin


(Homo sapiens (Human))		BDBM86314
PNG
(CAS_0 | NSC_0 | [Nle13]-Motilin)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C122H192N34O35/c1-9-11-14-30-74(104(174)145-79(40-46-89(126)159)110(180)147-82(45-51-97(169)170)111(181)142-75(32-20-22-53-124)105(175)146-81(44-50-96(167)168)112(182)144-77(34-24-55-135-122(132)133)107(177)150-87(61-92(129)162)114(184)140-73(31-19-21-52-123)102(172)136-63-94(164)139-83(120(190)191)42-48-91(128)161)141-106(176)76(33-23-54-134-121(130)131)143-109(179)80(41-47-90(127)160)148-113(183)84(57-64(3)4)149-108(178)78(43-49-95(165)166)138-93(163)62-137-103(173)85(60-70-36-38-71(158)39-37-70)151-118(188)100(67(8)157)155-115(185)86(59-69-28-17-13-18-29-69)152-117(187)99(66(7)10-2)154-116(186)88-35-25-56-156(88)119(189)98(65(5)6)153-101(171)72(125)58-68-26-15-12-16-27-68/h12-13,15-18,26-29,36-39,64-67,72-88,98-100,157-158H,9-11,14,19-25,30-35,40-63,123-125H2,1-8H3,(H2,126,159)(H2,127,160)(H2,128,161)(H2,129,162)(H,136,172)(H,137,173)(H,138,163)(H,139,164)(H,140,184)(H,141,176)(H,142,181)(H,143,179)(H,144,182)(H,145,174)(H,146,175)(H,147,180)(H,148,183)(H,149,178)(H,150,177)(H,151,188)(H,152,187)(H,153,171)(H,154,186)(H,155,185)(H,165,166)(H,167,168)(H,169,170)(H,190,191)(H4,130,131,134)(H4,132,133,135)/t66-,67+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,98-,99-,100-/m0/s1
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 0.447n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145354
PNG
(1-{2-[4-(6-Fluoro-1H-indazol-3-yl)-3,6-dihydro-2H-...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3[nH]nc4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C24H25FN4O2/c25-18-2-4-20-21(14-18)27-28-23(20)15-5-9-29(10-6-15)11-7-22-19-3-1-17(24(26)30)13-16(19)8-12-31-22/h1-5,13-14,22H,6-12H2,(H2,26,30)(H,27,28)
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 0.5n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145350
PNG
(1-{2-[4-(6-Fluoro-1-methyl-1H-indazol-3-yl)-3,6-di...)
Show SMILES Cn1nc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4|
Show InChI InChI=1S/C25H27FN4O2/c1-29-22-15-19(26)3-5-21(22)24(28-29)16-6-10-30(11-7-16)12-8-23-20-4-2-18(25(27)31)14-17(20)9-13-32-23/h2-6,14-15,23H,7-13H2,1H3,(H2,27,31)
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 0.540n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50000483
PNG
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
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 0.590n/an/an/an/an/an/an/an/a



Beecham Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Binding affinity for central 5-hydroxytryptamine 3 receptor was determined by displacement of [3H]-ketanserin

J Med Chem 33: 1924-9 (1990)


BindingDB Entry DOI: 10.7270/Q2QN67CS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145349
PNG
(1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)
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 0.760n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145338
PNG
(1-{2-[(S)-4-(6-Fluoro-1H-indol-3-yl)-2-methyl-pipe...)
Show SMILES C[C@H]1CC(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C26H30FN3O2/c1-16-12-17(23-15-29-24-14-20(27)3-5-22(23)24)6-9-30(16)10-7-25-21-4-2-19(26(28)31)13-18(21)8-11-32-25/h2-5,13-17,25,29H,6-12H2,1H3,(H2,28,31)/t16-,17?,25?/m0/s1
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 0.780n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Promotilin


(RABBIT)		BDBM86314
PNG
(CAS_0 | NSC_0 | [Nle13]-Motilin)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C122H192N34O35/c1-9-11-14-30-74(104(174)145-79(40-46-89(126)159)110(180)147-82(45-51-97(169)170)111(181)142-75(32-20-22-53-124)105(175)146-81(44-50-96(167)168)112(182)144-77(34-24-55-135-122(132)133)107(177)150-87(61-92(129)162)114(184)140-73(31-19-21-52-123)102(172)136-63-94(164)139-83(120(190)191)42-48-91(128)161)141-106(176)76(33-23-54-134-121(130)131)143-109(179)80(41-47-90(127)160)148-113(183)84(57-64(3)4)149-108(178)78(43-49-95(165)166)138-93(163)62-137-103(173)85(60-70-36-38-71(158)39-37-70)151-118(188)100(67(8)157)155-115(185)86(59-69-28-17-13-18-29-69)152-117(187)99(66(7)10-2)154-116(186)88-35-25-56-156(88)119(189)98(65(5)6)153-101(171)72(125)58-68-26-15-12-16-27-68/h12-13,15-18,26-29,36-39,64-67,72-88,98-100,157-158H,9-11,14,19-25,30-35,40-63,123-125H2,1-8H3,(H2,126,159)(H2,127,160)(H2,128,161)(H2,129,162)(H,136,172)(H,137,173)(H,138,163)(H,139,164)(H,140,184)(H,141,176)(H,142,181)(H,143,179)(H,144,182)(H,145,174)(H,146,175)(H,147,180)(H,148,183)(H,149,178)(H,150,177)(H,151,188)(H,152,187)(H,153,171)(H,154,186)(H,155,185)(H,165,166)(H,167,168)(H,169,170)(H,190,191)(H4,130,131,134)(H4,132,133,135)/t66-,67+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,98-,99-,100-/m0/s1
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 0.850n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145344
PNG
(1-{2-[4-(6-Fluoro-1-methyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12 |t:4|
Show InChI InChI=1S/C26H28FN3O2/c1-29-16-23(22-5-3-20(27)15-24(22)29)17-6-10-30(11-7-17)12-8-25-21-4-2-19(26(28)31)14-18(21)9-13-32-25/h2-6,14-16,25H,7-13H2,1H3,(H2,28,31)
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 0.980n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Promotilin


(RABBIT)		BDBM50143037
PNG
(CHEMBL411576 | MOTILIN)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O
Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
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 0.980n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145346
PNG
(1-{2-[4-(6-Trifluoromethyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1 |c:13|
Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)19-2-4-21-22(15-31-23(21)14-19)16-5-9-32(10-6-16)11-7-24-20-3-1-18(25(30)33)13-17(20)8-12-34-24/h1-5,13-15,24,31H,6-12H2,(H2,30,33)
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 0.990n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145336
PNG
(1-{2-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-3,6-dihyd...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3csc4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H25FN2O2S/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29)
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 1n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50145352
PNG
(1-{2-[3-(6-Fluoro-1H-indol-3-yl)-pyrrolidin-1-yl]-...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(C3)c3c[nH]c4cc(F)ccc34)OCCc2c1
Show InChI InChI=1S/C24H26FN3O2/c25-18-2-4-20-21(13-27-22(20)12-18)17-5-8-28(14-17)9-6-23-19-3-1-16(24(26)29)11-15(19)7-10-30-23/h1-4,11-13,17,23,27H,5-10,14H2,(H2,26,29)
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 1.20n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Promotilin


(Homo sapiens (Human))		BDBM50143037
PNG
(CHEMBL411576 | MOTILIN)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O
Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
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 1.29n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Promotilin


(RABBIT)		BDBM50143037
PNG
(CHEMBL411576 | MOTILIN)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O
Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
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 1.35n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145341
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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 1.60n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Promotilin


(RABBIT)		BDBM86314
PNG
(CAS_0 | NSC_0 | [Nle13]-Motilin)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C122H192N34O35/c1-9-11-14-30-74(104(174)145-79(40-46-89(126)159)110(180)147-82(45-51-97(169)170)111(181)142-75(32-20-22-53-124)105(175)146-81(44-50-96(167)168)112(182)144-77(34-24-55-135-122(132)133)107(177)150-87(61-92(129)162)114(184)140-73(31-19-21-52-123)102(172)136-63-94(164)139-83(120(190)191)42-48-91(128)161)141-106(176)76(33-23-54-134-121(130)131)143-109(179)80(41-47-90(127)160)148-113(183)84(57-64(3)4)149-108(178)78(43-49-95(165)166)138-93(163)62-137-103(173)85(60-70-36-38-71(158)39-37-70)151-118(188)100(67(8)157)155-115(185)86(59-69-28-17-13-18-29-69)152-117(187)99(66(7)10-2)154-116(186)88-35-25-56-156(88)119(189)98(65(5)6)153-101(171)72(125)58-68-26-15-12-16-27-68/h12-13,15-18,26-29,36-39,64-67,72-88,98-100,157-158H,9-11,14,19-25,30-35,40-63,123-125H2,1-8H3,(H2,126,159)(H2,127,160)(H2,128,161)(H2,129,162)(H,136,172)(H,137,173)(H,138,163)(H,139,164)(H,140,184)(H,141,176)(H,142,181)(H,143,179)(H,144,182)(H,145,174)(H,146,175)(H,147,180)(H,148,183)(H,149,178)(H,150,177)(H,151,188)(H,152,187)(H,153,171)(H,154,186)(H,155,185)(H,165,166)(H,167,168)(H,169,170)(H,190,191)(H4,130,131,134)(H4,132,133,135)/t66-,67+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,98-,99-,100-/m0/s1
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 1.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50451852
PNG
(CHEMBL1159649)
Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1
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 1.70n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50451853
PNG
(CHEMBL2112307)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3ccc(F)c4ccoc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H25FN2O3/c26-22-4-3-20(24-21(22)9-14-31-24)16-5-10-28(11-6-16)12-7-23-19-2-1-18(25(27)29)15-17(19)8-13-30-23/h1-5,9,14-15,23H,6-8,10-13H2,(H2,27,29)
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 1.90n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Promotilin


(Homo sapiens (Human))		BDBM86314
PNG
(CAS_0 | NSC_0 | [Nle13]-Motilin)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C122H192N34O35/c1-9-11-14-30-74(104(174)145-79(40-46-89(126)159)110(180)147-82(45-51-97(169)170)111(181)142-75(32-20-22-53-124)105(175)146-81(44-50-96(167)168)112(182)144-77(34-24-55-135-122(132)133)107(177)150-87(61-92(129)162)114(184)140-73(31-19-21-52-123)102(172)136-63-94(164)139-83(120(190)191)42-48-91(128)161)141-106(176)76(33-23-54-134-121(130)131)143-109(179)80(41-47-90(127)160)148-113(183)84(57-64(3)4)149-108(178)78(43-49-95(165)166)138-93(163)62-137-103(173)85(60-70-36-38-71(158)39-37-70)151-118(188)100(67(8)157)155-115(185)86(59-69-28-17-13-18-29-69)152-117(187)99(66(7)10-2)154-116(186)88-35-25-56-156(88)119(189)98(65(5)6)153-101(171)72(125)58-68-26-15-12-16-27-68/h12-13,15-18,26-29,36-39,64-67,72-88,98-100,157-158H,9-11,14,19-25,30-35,40-63,123-125H2,1-8H3,(H2,126,159)(H2,127,160)(H2,128,161)(H2,129,162)(H,136,172)(H,137,173)(H,138,163)(H,139,164)(H,140,184)(H,141,176)(H,142,181)(H,143,179)(H,144,182)(H,145,174)(H,146,175)(H,147,180)(H,148,183)(H,149,178)(H,150,177)(H,151,188)(H,152,187)(H,153,171)(H,154,186)(H,155,185)(H,165,166)(H,167,168)(H,169,170)(H,190,191)(H4,130,131,134)(H4,132,133,135)/t66-,67+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,98-,99-,100-/m0/s1
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 1.95n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




Br J Pharmacol 140: 948-54 (2003)


Article DOI: 10.1038/sj.bjp.0705505
BindingDB Entry DOI: 10.7270/Q2N58JZF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145337
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-e...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H28FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-4,13-16,24,28H,5-12H2,(H2,27,30)
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 2n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145352
PNG
(1-{2-[3-(6-Fluoro-1H-indol-3-yl)-pyrrolidin-1-yl]-...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(C3)c3c[nH]c4cc(F)ccc34)OCCc2c1
Show InChI InChI=1S/C24H26FN3O2/c25-18-2-4-20-21(13-27-22(20)12-18)17-5-8-28(14-17)9-6-23-19-3-1-16(24(26)29)11-15(19)7-10-30-23/h1-4,11-13,17,23,27H,5-10,14H2,(H2,26,29)
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 2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13|
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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 2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50145354
PNG
(1-{2-[4-(6-Fluoro-1H-indazol-3-yl)-3,6-dihydro-2H-...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3[nH]nc4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C24H25FN4O2/c25-18-2-4-20-21(14-18)27-28-23(20)15-5-9-29(10-6-15)11-7-22-19-3-1-17(24(26)30)13-16(19)8-12-31-22/h1-5,13-14,22H,6-12H2,(H2,26,30)(H,27,28)
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 2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50145341
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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 2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145351
PNG
(1-{2-[4-(6-Fluoro-naphthalen-2-yl)-3,6-dihydro-2H-...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3ccc4cc(F)ccc4c3)OCCc2c1 |c:13|
Show InChI InChI=1S/C27H27FN2O2/c28-24-5-3-20-15-19(1-2-21(20)17-24)18-7-11-30(12-8-18)13-9-26-25-6-4-23(27(29)31)16-22(25)10-14-32-26/h1-7,15-17,26H,8-14H2,(H2,29,31)
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 2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50366907
PNG
(CHEMBL1169435)
Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1
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 2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50145343
PNG
(1-{2-[4-(6-Fluoro-benzofuran-3-yl)-3,6-dihydro-2H-...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3coc4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H25FN2O3/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29)
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 2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50145339
PNG
(1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihyd...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C24H24FN3O3/c25-18-2-4-20-22(14-18)31-27-23(20)15-5-9-28(10-6-15)11-7-21-19-3-1-17(24(26)29)13-16(19)8-12-30-21/h1-5,13-14,21H,6-12H2,(H2,26,29)
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 3n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145333
PNG
(1-[2-(4-Naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C27H28N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-10,18,26H,11-17H2,(H2,28,30)
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 3.20n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145332
PNG
(1-{2-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-p...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1 |t:9|
Show InChI InChI=1S/C26H29N3O3/c1-31-20-3-5-24-22(15-20)23(16-28-24)17-6-10-29(11-7-17)12-8-25-21-4-2-19(26(27)30)14-18(21)9-13-32-25/h2-6,14-16,25,28H,7-13H2,1H3,(H2,27,30)
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 3.5n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50145336
PNG
(1-{2-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-3,6-dihyd...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3csc4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H25FN2O2S/c26-19-2-4-21-22(15-31-24(21)14-19)16-5-9-28(10-6-16)11-7-23-20-3-1-18(25(27)29)13-17(20)8-12-30-23/h1-5,13-15,23H,6-12H2,(H2,27,29)
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 3.80n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50145349
PNG
(1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)
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 3.80n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50145347
PNG
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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 4.70n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50145333
PNG
(1-[2-(4-Naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C27H28N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-10,18,26H,11-17H2,(H2,28,30)
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 5.40n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50145334
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperazin-1-yl]-e...)
Show SMILES NC(=O)c1ccc2C(CCN3CCN(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-2-4-20-21(14-18)27-15-22(20)29-10-8-28(9-11-29)7-5-23-19-3-1-17(24(26)30)13-16(19)6-12-31-23/h1-4,13-15,23,27H,5-12H2,(H2,26,30)
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 5.80n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50145356
PNG
(1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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 6.70n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50366907
PNG
(CHEMBL1169435)
Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1 |r,c:13|
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1
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 7n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50145334
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperazin-1-yl]-e...)
Show SMILES NC(=O)c1ccc2C(CCN3CCN(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-2-4-20-21(14-18)27-15-22(20)29-10-8-28(9-11-29)7-5-23-19-3-1-17(24(26)30)13-16(19)6-12-31-23/h1-4,13-15,23,27H,5-12H2,(H2,26,30)
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 7.10n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50145339
PNG
(1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihyd...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13|
Show InChI InChI=1S/C24H24FN3O3/c25-18-2-4-20-22(14-18)31-27-23(20)15-5-9-28(10-6-15)11-7-21-19-3-1-17(24(26)29)13-16(19)8-12-30-21/h1-5,13-14,21H,6-12H2,(H2,26,29)
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 8n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50145337
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-e...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H28FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-4,13-16,24,28H,5-12H2,(H2,27,30)
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 8.40n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50145346
PNG
(1-{2-[4-(6-Trifluoromethyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1 |c:13|
Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)19-2-4-21-22(15-31-23(21)14-19)16-5-9-32(10-6-16)11-7-24-20-3-1-18(25(30)33)13-17(20)8-12-34-24/h1-5,13-15,24,31H,6-12H2,(H2,30,33)
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 8.60n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50145337
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-piperidin-1-yl]-e...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H28FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-4,13-16,24,28H,5-12H2,(H2,27,30)
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 12n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
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