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Compile Data Set for Download or QSAR

Found 2336 hits with Last Name = 'mai' and Initial = 'n'   
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139906
PNG
(CHEMBL414991 | DPhe-His-Leu-Leu-Arg-Glu-Val-Leu-Gl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](N)Cc2ccccc2)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)C(=O)CN[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C164H275N49O41/c1-24-28-43-100(122(215)80-183-101(57-62-128(222)223)139(232)213-132(90(18)27-4)161(254)212-131(133(170)226)89(17)26-3)190-153(246)115(70-84(7)8)206-146(239)103(45-33-35-64-165)195-144(237)107(49-39-67-181-163(173)174)199-159(252)121(77-125(169)218)209-147(240)104-46-34-36-65-179-126(219)61-56-112(142(235)188-95(23)137(230)203-119(157(250)196-104)75-97-78-177-81-184-97)202-148(241)110(54-59-123(167)216)192-136(229)94(22)189-152(245)114(69-83(5)6)205-150(243)111(55-60-124(168)217)201-149(242)113(58-63-129(224)225)193-135(228)93(21)187-141(234)106(48-38-66-180-162(171)172)191-134(227)92(20)186-140(233)102(44-29-25-2)194-143(236)105(47-37-51-127(220)221)197-155(248)118(73-87(13)14)210-160(253)130(88(15)16)211-151(244)109(53-52-91(19)214)200-145(238)108(50-40-68-182-164(175)176)198-154(247)116(71-85(9)10)207-156(249)117(72-86(11)12)208-158(251)120(76-98-79-178-82-185-98)204-138(231)99(166)74-96-41-31-30-32-42-96/h30-32,41-42,78-79,81-90,92-95,99-121,130-132,183H,24-29,33-40,43-77,80,165-166H2,1-23H3,(H2,167,216)(H2,168,217)(H2,169,218)(H2,170,226)(H,177,184)(H,178,185)(H,179,219)(H,186,233)(H,187,234)(H,188,235)(H,189,245)(H,190,246)(H,191,227)(H,192,229)(H,193,228)(H,194,236)(H,195,237)(H,196,250)(H,197,248)(H,198,247)(H,199,252)(H,200,238)(H,201,242)(H,202,241)(H,203,230)(H,204,231)(H,205,243)(H,206,239)(H,207,249)(H,208,251)(H,209,240)(H,210,253)(H,211,244)(H,212,254)(H,213,232)(H,220,221)(H,222,223)(H,224,225)(H4,171,172,180)(H4,173,174,181)(H4,175,176,182)/t89-,90-,92-,93-,94-,95-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114?,115-,116?,117?,118-,119-,120-,121-,130-,131-,132-/m0/s1
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2n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309512
PNG
(2-(2,3-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl
Show InChI InChI=1S/C16H16Cl2N2O/c17-13-4-1-5-14(15(13)18)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309515
PNG
(2-(2,4-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N2O/c17-12-3-4-15(14(18)10-12)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
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2.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139920
PNG
(Ac-(Glu-Aib-Glu-Lys)-Leu-Arg-Lys-Leu-Cha-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H112N18O21/c1-9-37(5)56(58(72)98)87-69(109)57(38(6)10-2)88-68(108)51(35-55(96)97)86-66(106)49(33-41-19-12-11-13-20-41)84-64(104)47(31-36(3)4)82-60(100)42(21-14-16-28-71)78-59(99)44(23-18-30-76-70(73)74)80-65(105)48(32-39(7)89)83-61(101)43-22-15-17-29-75-52(91)26-24-45(77-40(8)90)62(102)85-50(34-54(94)95)67(107)81-46(63(103)79-43)25-27-53(92)93/h11-13,19-20,36-38,42-51,56-57H,9-10,14-18,21-35,71H2,1-8H3,(H2,72,98)(H,75,91)(H,77,90)(H,78,99)(H,79,103)(H,80,105)(H,81,107)(H,82,100)(H,83,101)(H,84,104)(H,85,102)(H,86,106)(H,87,109)(H,88,108)(H,92,93)(H,94,95)(H,96,97)(H4,73,74,76)/t37-,38-,42-,43-,44-,45+,46-,47-,48-,49-,50-,51-,56-,57-/m0/s1
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3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139907
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Cha-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C68H117N19O19/c1-9-36(5)54(56(71)95)86-67(106)55(37(6)10-2)87-66(105)49(34-53(93)94)85-64(103)47(32-40-19-12-11-13-20-40)83-63(102)46(31-35(3)4)82-60(99)41(21-14-16-28-69)79-59(98)43(23-18-30-75-68(72)73)81-65(104)48(33-50(70)89)84-61(100)42-22-15-17-29-74-51(90)26-24-44(77-39(8)88)58(97)76-38(7)57(96)78-45(62(101)80-42)25-27-52(91)92/h35-38,40-49,54-55H,9-34,69H2,1-8H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,97)(H,77,88)(H,78,96)(H,79,98)(H,80,101)(H,81,104)(H,82,99)(H,83,102)(H,84,100)(H,85,103)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t36-,37-,38+,41-,42-,43-,44+,45-,46-,47-,48-,49-,54-,55-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309523
PNG
(1-(2-(2-chloro-6-fluorophenoxy)pyridin-3-yl)pipera...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1N1CCNCC1
Show InChI InChI=1S/C15H15ClFN3O/c16-11-3-1-4-12(17)14(11)21-15-13(5-2-6-19-15)20-9-7-18-8-10-20/h1-6,18H,7-10H2
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3.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309522
PNG
(1-(2-(2-chlorophenoxy)pyridin-3-yl)piperazine | CH...)
Show SMILES Clc1ccccc1Oc1ncccc1N1CCNCC1
Show InChI InChI=1S/C15H16ClN3O/c16-12-4-1-2-6-14(12)20-15-13(5-3-7-18-15)19-10-8-17-9-11-19/h1-7,17H,8-11H2
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4.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309505
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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4.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309514
PNG
(2-(2-fluoro-4-methylphenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Show InChI InChI=1S/C17H19FN2O/c1-12-4-5-16(15(18)11-12)21-17-14(3-2-8-20-17)13-6-9-19-10-7-13/h2-5,8,11,13,19H,6-7,9-10H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139905
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Phe-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C68H117N19O19/c1-9-36(5)54(56(71)95)86-67(106)55(37(6)10-2)87-66(105)49(34-53(93)94)85-64(103)47(32-40-19-12-11-13-20-40)83-63(102)46(31-35(3)4)82-60(99)41(21-14-16-28-69)79-59(98)43(23-18-30-75-68(72)73)81-65(104)48(33-50(70)89)84-61(100)42-22-15-17-29-74-51(90)26-24-44(77-39(8)88)58(97)76-38(7)57(96)78-45(62(101)80-42)25-27-52(91)92/h35-38,40-49,54-55H,9-34,69H2,1-8H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,97)(H,77,88)(H,78,96)(H,79,98)(H,80,101)(H,81,104)(H,82,99)(H,83,102)(H,84,100)(H,85,103)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t36-,37-,38-,41-,42-,43-,44+,45-,46-,47-,48-,49-,54-,55-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309520
PNG
(2-(2,6-difluorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Fc1cccc(F)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16F2N2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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7.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309521
PNG
(2-(2-fluoro-6-methylphenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Cc1cccc(F)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H19FN2O/c1-12-4-2-6-15(18)16(12)21-17-14(5-3-9-20-17)13-7-10-19-11-8-13/h2-6,9,13,19H,7-8,10-11H2,1H3
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309519
PNG
(2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309507
PNG
(2-(2-fluorophenoxy)-3-(piperidin-4-yl)pyridine | C...)
Show SMILES Fc1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H17FN2O/c17-14-5-1-2-6-15(14)20-16-13(4-3-9-19-16)12-7-10-18-11-8-12/h1-6,9,12,18H,7-8,10-11H2
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309508
PNG
(2-(2-chlorophenoxy)-3-(piperidin-4-yl)pyridine | C...)
Show SMILES Clc1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H17ClN2O/c17-14-5-1-2-6-15(14)20-16-13(4-3-9-19-16)12-7-10-18-11-8-12/h1-6,9,12,18H,7-8,10-11H2
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309517
PNG
(2-(2-chloro-5-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1
Show InChI InChI=1S/C16H16ClFN2O/c17-14-4-3-12(18)10-15(14)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309518
PNG
(2-(2-fluoro-6-methoxyphenoxy)-3-(piperidin-4-yl)py...)
Show SMILES COc1cccc(F)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H19FN2O2/c1-21-15-6-2-5-14(18)16(15)22-17-13(4-3-9-20-17)12-7-10-19-11-8-12/h2-6,9,12,19H,7-8,10-11H2,1H3
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24n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309512
PNG
(2-(2,3-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl
Show InChI InChI=1S/C16H16Cl2N2O/c17-13-4-1-5-14(15(13)18)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309521
PNG
(2-(2-fluoro-6-methylphenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Cc1cccc(F)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H19FN2O/c1-12-4-2-6-15(18)16(12)21-17-14(5-3-9-20-17)13-7-10-19-11-8-13/h2-6,9,13,19H,7-8,10-11H2,1H3
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309516
PNG
(2-(2,4-difluorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Show InChI InChI=1S/C16H16F2N2O/c17-12-3-4-15(14(18)10-12)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
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29n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309516
PNG
(2-(2,4-difluorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Show InChI InChI=1S/C16H16F2N2O/c17-12-3-4-15(14(18)10-12)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309505
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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32n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309519
PNG
(2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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33n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309514
PNG
(2-(2-fluoro-4-methylphenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Show InChI InChI=1S/C17H19FN2O/c1-12-4-5-16(15(18)11-12)21-17-14(3-2-8-20-17)13-6-9-19-10-7-13/h2-5,8,11,13,19H,6-7,9-10H2,1H3
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36n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139915
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Nle-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C68H118N18O19/c1-11-37(7)55(57(71)95)85-67(105)56(38(8)12-2)86-66(104)49(34-54(93)94)83-59(97)41(36(5)6)20-13-14-24-50(88)47(32-35(3)4)82-62(100)42(21-15-17-29-69)79-61(99)44(23-19-31-75-68(72)73)81-65(103)48(33-51(70)89)84-63(101)43-22-16-18-30-74-52(90)27-25-45(77-40(10)87)60(98)76-39(9)58(96)78-46(64(102)80-43)26-28-53(91)92/h35-39,41-49,55-56H,11-34,69H2,1-10H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,98)(H,77,87)(H,78,96)(H,79,99)(H,80,102)(H,81,103)(H,82,100)(H,83,97)(H,84,101)(H,85,105)(H,86,104)(H,91,92)(H,93,94)(H4,72,73,75)/t37-,38-,39-,41?,42-,43-,44-,45+,46-,47-,48-,49-,55-,56-/m0/s1
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36.7n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309512
PNG
(2-(2,3-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl
Show InChI InChI=1S/C16H16Cl2N2O/c17-13-4-1-5-14(15(13)18)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309515
PNG
(2-(2,4-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N2O/c17-12-3-4-15(14(18)10-12)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139909
PNG
(Ac-(Glu-Ala-Lys-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H127N19O17/c1-12-41(7)58(60(75)97)88-70(107)59(42(8)13-2)89-67(104)50(29-32-57(95)96)82-62(99)45(40(5)6)23-14-15-28-54(92)51(37-39(3)4)86-65(102)47(25-17-20-34-73)83-64(101)49(27-22-36-79-71(76)77)85-68(105)52(38-55(74)93)87-66(103)48-26-18-21-35-78-56(94)31-30-53(90(11)44(10)91)69(106)80-43(9)61(98)81-46(63(100)84-48)24-16-19-33-72/h39-43,45-53,58-59H,12-38,72-73H2,1-11H3,(H2,74,93)(H2,75,97)(H,78,94)(H,80,106)(H,81,98)(H,82,99)(H,83,101)(H,84,100)(H,85,105)(H,86,102)(H,87,103)(H,88,107)(H,89,104)(H,95,96)(H4,76,77,79)/t41-,42-,43-,45?,46-,47-,48-,49-,50-,51-,52-,53+,58-,59-/m0/s1
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44.8n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139901
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Lys-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H120N18O17/c1-11-40(7)58(60(74)95)87-70(105)59(41(8)12-2)88-67(102)50(27-29-57(93)94)80-62(97)45(39(5)6)21-13-14-25-54(90)51(33-38(3)4)84-65(100)47(23-16-19-31-72)81-64(99)46(22-15-18-30-71)83-69(104)53(35-55(73)91)86-66(101)48-24-17-20-32-76-56(92)28-26-49(79-43(10)89)63(98)78-42(9)61(96)85-52(68(103)82-48)34-44-36-75-37-77-44/h36-42,45-53,58-59H,11-35,71-72H2,1-10H3,(H2,73,91)(H2,74,95)(H,75,77)(H,76,92)(H,78,98)(H,79,89)(H,80,97)(H,81,99)(H,82,103)(H,83,104)(H,84,100)(H,85,96)(H,86,101)(H,87,105)(H,88,102)(H,93,94)/t40-,41-,42-,45?,46+,47-,48-,49+,50-,51-,52-,53-,58-,59-/m0/s1
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45.1n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139904
PNG
(Ac-(Glu-Ala-Leu-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H126N18O17/c1-14-41(9)58(60(74)96)87-70(106)59(42(10)15-2)88-66(102)49(28-31-57(94)95)80-62(98)45(40(7)8)23-16-17-27-54(91)50(35-38(3)4)84-64(100)46(24-18-20-32-72)81-63(99)48(26-22-34-78-71(75)76)83-68(104)52(37-55(73)92)86-65(101)47-25-19-21-33-77-56(93)30-29-53(89(13)44(12)90)69(105)79-43(11)61(97)85-51(36-39(5)6)67(103)82-47/h38-43,45-53,58-59H,14-37,72H2,1-13H3,(H2,73,92)(H2,74,96)(H,77,93)(H,79,105)(H,80,98)(H,81,99)(H,82,103)(H,83,104)(H,84,100)(H,85,97)(H,86,101)(H,87,106)(H,88,102)(H,94,95)(H4,75,76,78)/t41-,42-,43-,45?,46-,47-,48-,49-,50-,51-,52-,53+,58-,59-/m0/s1
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48.9n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139908
PNG
(Ac-(Glu-Ala-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H120N20O17/c1-11-39(7)57(59(73)97)89-69(107)58(40(8)12-2)90-66(104)49(26-28-56(95)96)82-61(99)44(38(5)6)20-13-14-24-53(92)50(32-37(3)4)86-64(102)45(21-15-17-29-71)83-63(101)47(23-19-31-78-70(74)75)85-68(106)52(34-54(72)93)88-65(103)46-22-16-18-30-77-55(94)27-25-48(81-42(10)91)62(100)80-41(9)60(98)87-51(67(105)84-46)33-43-35-76-36-79-43/h35-41,44-52,57-58H,11-34,71H2,1-10H3,(H2,72,93)(H2,73,97)(H,76,79)(H,77,94)(H,80,100)(H,81,91)(H,82,99)(H,83,101)(H,84,105)(H,85,106)(H,86,102)(H,87,98)(H,88,103)(H,89,107)(H,90,104)(H,95,96)(H4,74,75,78)/t39-,40-,41+,44?,45-,46-,47-,48+,49-,50-,51-,52-,57-,58-/m0/s1
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50n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309508
PNG
(2-(2-chlorophenoxy)-3-(piperidin-4-yl)pyridine | C...)
Show SMILES Clc1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H17ClN2O/c17-14-5-1-2-6-15(14)20-16-13(4-3-9-19-16)12-7-10-18-11-8-12/h1-6,9,12,18H,7-8,10-11H2
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57n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309510
PNG
(3-(piperidin-4-yl)-2-(o-tolyloxy)pyridine | CHEMBL...)
Show SMILES Cc1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H20N2O/c1-13-5-2-3-7-16(13)20-17-15(6-4-10-19-17)14-8-11-18-12-9-14/h2-7,10,14,18H,8-9,11-12H2,1H3
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60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139910
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Ala-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C67H113N17O17/c1-12-37(7)55(57(70)91)83-67(101)56(38(8)13-2)84-64(98)47(25-27-54(89)90)78-60(94)43(36(5)6)20-14-15-23-51(86)48(30-35(3)4)80-62(96)44(21-16-18-28-68)77-58(92)39(9)75-65(99)50(32-52(69)87)82-63(97)45-22-17-19-29-72-53(88)26-24-46(76-41(11)85)61(95)74-40(10)59(93)81-49(66(100)79-45)31-42-33-71-34-73-42/h33-40,43-50,55-56H,12-32,68H2,1-11H3,(H2,69,87)(H2,70,91)(H,71,73)(H,72,88)(H,74,95)(H,75,99)(H,76,85)(H,77,92)(H,78,94)(H,79,100)(H,80,96)(H,81,93)(H,82,97)(H,83,101)(H,84,98)(H,89,90)/t37-,38-,39+,40-,43?,44-,45-,46+,47-,48-,49-,50-,55-,56-/m0/s1
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70.9n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309511
PNG
(3-(piperidin-4-yl)-2-(2-(trifluoromethyl)phenoxy)p...)
Show SMILES FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)14-5-1-2-6-15(14)23-16-13(4-3-9-22-16)12-7-10-21-11-8-12/h1-6,9,12,21H,7-8,10-11H2
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71n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309508
PNG
(2-(2-chlorophenoxy)-3-(piperidin-4-yl)pyridine | C...)
Show SMILES Clc1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H17ClN2O/c17-14-5-1-2-6-15(14)20-16-13(4-3-9-19-16)12-7-10-18-11-8-12/h1-6,9,12,18H,7-8,10-11H2
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74n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139913
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Phe-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C69H112N18O19/c1-10-37(5)55(57(71)95)86-68(106)56(38(6)11-2)87-67(105)51(35-54(93)94)85-66(104)50(34-42-20-13-12-14-21-42)84-64(102)48(32-36(3)4)82-61(99)43(22-15-17-29-70)79-60(98)45(24-19-31-75-69(72)73)81-65(103)49(33-39(7)88)83-62(100)44-23-16-18-30-74-52(90)27-25-46(77-41(9)89)59(97)76-40(8)58(96)78-47(63(101)80-44)26-28-53(91)92/h12-14,20-21,36-38,40,43-51,55-56H,10-11,15-19,22-35,70H2,1-9H3,(H2,71,95)(H,74,90)(H,76,97)(H,77,89)(H,78,96)(H,79,98)(H,80,101)(H,81,103)(H,82,99)(H,83,100)(H,84,102)(H,85,104)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t37-,38-,40-,43-,44-,45-,46+,47-,48-,49-,50-,51-,55-,56-/m0/s1
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81n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309509
PNG
(2-(2-methoxyphenoxy)-3-(piperidin-4-yl)pyridine | ...)
Show SMILES COc1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H20N2O2/c1-20-15-6-2-3-7-16(15)21-17-14(5-4-10-19-17)13-8-11-18-12-9-13/h2-7,10,13,18H,8-9,11-12H2,1H3
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92n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309506
PNG
(2-phenoxy-3-(piperidin-4-yl)pyridine | CHEMBL60814...)
Show SMILES C1CC(CCN1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C16H18N2O/c1-2-5-14(6-3-1)19-16-15(7-4-10-18-16)13-8-11-17-12-9-13/h1-7,10,13,17H,8-9,11-12H2
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101n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309521
PNG
(2-(2-fluoro-6-methylphenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Cc1cccc(F)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H19FN2O/c1-12-4-2-6-15(18)16(12)21-17-14(5-3-9-20-17)13-7-10-19-11-8-13/h2-6,9,13,19H,7-8,10-11H2,1H3
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102n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309513
PNG
(2-(2,3-difluorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Fc1cccc(Oc2ncccc2C2CCNCC2)c1F
Show InChI InChI=1S/C16H16F2N2O/c17-13-4-1-5-14(15(13)18)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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109n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139914
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H122N18O19/c1-12-39(7)57(59(73)97)86-69(107)58(40(8)13-2)87-66(104)48(27-31-56(95)96)80-61(99)43(38(5)6)21-14-15-25-52(90)49(35-37(3)4)84-63(101)44(22-16-18-32-71)81-62(100)46(24-20-34-77-70(74)75)83-67(105)50(36-53(72)91)85-64(102)45-23-17-19-33-76-54(92)29-28-51(88(11)42(10)89)68(106)78-41(9)60(98)79-47(65(103)82-45)26-30-55(93)94/h37-41,43-51,57-58H,12-36,71H2,1-11H3,(H2,72,91)(H2,73,97)(H,76,92)(H,78,106)(H,79,98)(H,80,99)(H,81,100)(H,82,103)(H,83,105)(H,84,101)(H,85,102)(H,86,107)(H,87,104)(H,93,94)(H,95,96)(H4,74,75,77)/t39-,40-,41-,43?,44-,45-,46-,47-,48-,49-,50-,51+,57-,58-/m0/s1
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130n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309511
PNG
(3-(piperidin-4-yl)-2-(2-(trifluoromethyl)phenoxy)p...)
Show SMILES FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)14-5-1-2-6-15(14)23-16-13(4-3-9-22-16)12-7-10-21-11-8-12/h1-6,9,12,21H,7-8,10-11H2
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140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309516
PNG
(2-(2,4-difluorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Show InChI InChI=1S/C16H16F2N2O/c17-12-3-4-15(14(18)10-12)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
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143n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309513
PNG
(2-(2,3-difluorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Fc1cccc(Oc2ncccc2C2CCNCC2)c1F
Show InChI InChI=1S/C16H16F2N2O/c17-13-4-1-5-14(15(13)18)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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173n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1


(Rattus norvegicus)
BDBM50240720
PNG
((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-1-(4-fluorophenyl)-...)
Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1
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180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane


Bioorg Med Chem Lett 18: 546-53 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.083
BindingDB Entry DOI: 10.7270/Q22F7P9P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309520
PNG
(2-(2,6-difluorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Fc1cccc(F)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16F2N2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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181n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309519
PNG
(2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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194n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1


(Rattus norvegicus)
BDBM50371521
PNG
(EZETIMIBE)
Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane


Bioorg Med Chem Lett 18: 546-53 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.083
BindingDB Entry DOI: 10.7270/Q22F7P9P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309511
PNG
(3-(piperidin-4-yl)-2-(2-(trifluoromethyl)phenoxy)p...)
Show SMILES FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)14-5-1-2-6-15(14)23-16-13(4-3-9-22-16)12-7-10-21-11-8-12/h1-6,9,12,21H,7-8,10-11H2
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203n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
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