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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'kablaoui' and Initial = 'nm'   
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
Oxytocin receptor


(HEK293)
BDBM50044676
PNG
(CHEMBL439044)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50205990
PNG
(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263671
PNG
(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263673
PNG
(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
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0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263672
PNG
(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
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0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263621
PNG
(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
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0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263774
PNG
((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50180014
PNG
(CHEMBL3814744)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)38(62)52-29(18-34(47)59)39(63)53-30(21-70-69-20-26(45)37(61)51-28(40(64)54-36)17-24-9-11-25(57)12-10-24)43(67)56-15-7-8-31(56)44(68)55(5)32(16-22(2)3)41(65)49-19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,65)(H,50,66)(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/s2
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0.970n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50180155
PNG
(CHEMBL3813894)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)39(63)53-30(18-34(47)59)43(67)55(5)32(21-70-69-20-26(45)37(61)51-29(40(64)54-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-8-31(56)41(65)52-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,66)(H,51,61)(H,52,65)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/s2
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1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50180132
PNG
(CHEMBL3814633)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1/C44H68N12O12S2/c1-6-23(4)36-42(66)49-27(13-14-33(46)58)38(62)51-29(18-34(47)59)39(63)53-31(21-70-69-20-26(45)37(61)50-28(40(64)54-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-8-32(56)41(65)52-30(16-22(2)3)43(67)55(5)19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,66)(H,50,61)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/s2
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263725
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
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1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263621
PNG
(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
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1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263774
PNG
((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263725
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
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1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263724
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
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2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263620
PNG
(CHEMBL478026 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50180160
PNG
(CHEMBL3815099)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1/C45H69N11O12S2/c1-7-25(4)38-42(65)50-28(14-15-34(46)58)39(62)51-30(21-35(47)59)40(63)52-31(23-70-69-18-16-37(61)49-29(41(64)53-38)20-26-10-12-27(57)13-11-26)43(66)56-17-8-9-32(56)45(68)55(6)33(19-24(2)3)44(67)54(5)22-36(48)60/h10-13,24-25,28-33,38,57H,7-9,14-23H2,1-6H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,61)(H,50,65)(H,51,62)(H,52,63)(H,53,64)/t25-,28-,29-,30-,31-,32-,33-,38-/s2
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3.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263673
PNG
(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
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3.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263672
PNG
(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
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4.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263619
PNG
(CHEMBL477816 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263725
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
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5.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50179992
PNG
(CHEMBL3814395)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC)[C@@H](C)CC |r|
Show InChI InChI=1/C44H68N12O12S2/c1-6-23(4)36-43(67)50-26(13-14-33(45)58)38(62)52-29(18-34(46)59)39(63)54-31(44(68)56-15-7-8-32(56)42(66)53-27(16-22(2)3)37(61)49-19-35(47)60)21-70-69-20-30(48-5)41(65)51-28(40(64)55-36)17-24-9-11-25(57)12-10-24/h9-12,22-23,26-32,36,48,57H,6-8,13-21H2,1-5H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,49,61)(H,50,67)(H,51,65)(H,52,62)(H,53,66)(H,54,63)(H,55,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/s2
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5.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263724
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
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6.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50179993
PNG
(CHEMBL3814165)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)38(62)51-29(18-34(47)59)39(63)53-30(44(68)56-15-7-8-31(56)40(64)52-28(16-22(2)3)37(61)49-19-35(48)60)21-70-69-20-26(45)43(67)55(5)32(41(65)54-36)17-24-9-11-25(57)12-10-24/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,61)(H,50,66)(H,51,62)(H,52,64)(H,53,63)(H,54,65)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/s2
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6.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263620
PNG
(CHEMBL478026 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263775
PNG
((R)-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)...)
Show SMILES O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263673
PNG
(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50180165
PNG
(CHEMBL3813722)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1/C45H70N12O12S2/c1-7-24(4)37-42(66)50-28(14-15-34(47)59)39(63)52-30(19-35(48)60)40(64)53-31(22-71-70-21-27(46)38(62)51-29(41(65)54-37)18-25-10-12-26(58)13-11-25)43(67)57-16-8-9-32(57)45(69)56(6)33(17-23(2)3)44(68)55(5)20-36(49)61/h10-13,23-24,27-33,37,58H,7-9,14-22,46H2,1-6H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,66)(H,51,62)(H,52,63)(H,53,64)(H,54,65)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/s2
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263672
PNG
(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263672
PNG
(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263673
PNG
(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263774
PNG
((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50263725
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263725
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263674
PNG
(CHEMBL476774 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1
Show InChI InChI=1S/C22H28N4O3/c27-22(18-5-3-8-23-15-18)24-9-12-25-10-4-11-26(14-13-25)16-19-17-28-20-6-1-2-7-21(20)29-19/h1-3,5-8,15,19H,4,9-14,16-17H2,(H,24,27)
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263618
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263674
PNG
(CHEMBL476774 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1
Show InChI InChI=1S/C22H28N4O3/c27-22(18-5-3-8-23-15-18)24-9-12-25-10-4-11-26(14-13-25)16-19-17-28-20-6-1-2-7-21(20)29-19/h1-3,5-8,15,19H,4,9-14,16-17H2,(H,24,27)
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263618
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3
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23n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263619
PNG
(CHEMBL477816 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50263620
PNG
(CHEMBL478026 | N-(2-(4-((2,3-dihydrobenzo[b][1,4]d...)
Show SMILES O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263671
PNG
(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263621
PNG
(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263774
PNG
((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)
Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
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31n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263671
PNG
(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
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31n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50180154
PNG
(CHEMBL3814617)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)43(67)55(5)32(18-34(47)59)41(65)53-30(21-70-69-20-26(45)37(61)51-29(39(63)54-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-8-31(56)40(64)52-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,66)(H,51,61)(H,52,64)(H,53,65)(H,54,63)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/s2
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31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50263618
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-24-19-8-4-5-9-20(19)25-16/h2-9,16H,10-15H2,1H3
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33n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50180164
PNG
(CHEMBL3814120)
Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)[C@@H](C)CC |r|
Show InChI InChI=1/C45H70N12O12S2/c1-7-24(4)37-42(66)50-28(14-15-34(47)59)39(63)52-31(19-35(48)60)44(68)56(6)33(22-71-70-21-27(46)38(62)51-29(40(64)54-37)18-25-10-12-26(58)13-11-25)45(69)57-16-8-9-32(57)41(65)53-30(17-23(2)3)43(67)55(5)20-36(49)61/h10-13,23-24,27-33,37,58H,7-9,14-22,46H2,1-6H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,66)(H,51,62)(H,52,63)(H,53,65)(H,54,64)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/s2
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34n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50263621
PNG
(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)
Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35)
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36n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
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