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Compile Data Set for Download or QSAR

Found 7966 hits with Last Name = 'conn' and Initial = 'pj'   
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
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50203482
PNG
(4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3
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PubMed
0.0900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50211341
PNG
(5-bromo-6-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphen...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1
Show InChI InChI=1S/C24H32BrClN4O3S/c1-17(2)33-23-6-4-3-5-22(23)30-13-11-29(12-14-30)19-9-7-18(8-10-19)28-34(31,32)20-15-21(25)24(26)27-16-20/h3-6,15-19,28H,7-14H2,1-2H3/t18-,19+
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0.140n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1D receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86846
PNG
(CAS_106133-20-4 | NSC_60147 | Tamsulosin)
Show SMILES CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)
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0.190n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1a receptor


Bioorg Med Chem Lett 17: 3930-4 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50203481
PNG
(2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O
Show InChI InChI=1S/C31H35N3O3/c1-21(2)37-28-10-6-5-9-27(28)33-19-17-32(18-20-33)23-12-14-24(15-13-23)34-30(35)26-16-11-22-7-3-4-8-25(22)29(26)31(34)36/h3-11,16,21,23-24H,12-15,17-20H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor


Bioorg Med Chem Lett 17: 3930-4 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1D receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50203482
PNG
(4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86846
PNG
(CAS_106133-20-4 | NSC_60147 | Tamsulosin)
Show SMILES CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.260n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50203485
PNG
(5,6-dichloro-2-(4-(4-(2-isopropoxyphenyl)piperazin...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C27H31Cl2N3O3/c1-17(2)35-25-6-4-3-5-24(25)31-13-11-30(12-14-31)18-7-9-19(10-8-18)32-26(33)20-15-22(28)23(29)16-21(20)27(32)34/h3-6,15-19H,7-14H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50223565
PNG
(3,4-dimethoxy-N-((1s,4s)-4-(4-(2-(2,2,2-trifluoroe...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N3O5S/c1-35-24-12-11-21(17-25(24)36-2)38(33,34)30-19-7-9-20(10-8-19)31-13-15-32(16-14-31)22-5-3-4-6-23(22)37-18-26(27,28)29/h3-6,11-12,17,19-20,30H,7-10,13-16,18H2,1-2H3/t19-,20+
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0.350n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor


Bioorg Med Chem Lett 17: 6123-8 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50203486
PNG
(2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccncc2C1=O
Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-24-6-4-3-5-23(24)29-15-13-28(14-16-29)19-7-9-20(10-8-19)30-25(31)21-11-12-27-17-22(21)26(30)32/h3-6,11-12,17-20H,7-10,13-16H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM86848
PNG
(1-(2,5-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-17-19(27)7-12-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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0.460n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50203480
PNG
(8-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O
Show InChI InChI=1S/C31H34FN3O3/c1-20(2)38-28-6-4-3-5-27(28)34-17-15-33(16-18-34)23-10-12-24(13-11-23)35-30(36)25-14-8-21-7-9-22(32)19-26(21)29(25)31(35)37/h3-9,14,19-20,23-24H,10-13,15-18H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.520n/an/an/an/an/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.520n/an/an/an/an/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50211318
PNG
(3-chloro-2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C25H33ClFN3O3S/c1-18(2)33-23-8-4-3-7-22(23)30-16-14-29(15-17-30)20-12-10-19(11-13-20)28-34(31,32)24-9-5-6-21(26)25(24)27/h3-9,18-20,28H,10-17H2,1-2H3/t19-,20-
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0.560n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.560n/an/an/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 885-90 (2008)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50149255
PNG
(3-((R)-2-Cyclopentyl-2-dimethylamino-ethyl)-1-(2,6...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C2CCCC2)N(C)C)c1=O
Show InChI InChI=1S/C28H32F3N3O3/c1-17-25(19-11-7-14-24(37-4)26(19)31)27(35)34(16-23(32(2)3)18-9-5-6-10-18)28(36)33(17)15-20-21(29)12-8-13-22(20)30/h7-8,11-14,18,23H,5-6,9-10,15-16H2,1-4H3/t23-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...


J Med Chem 47: 3483-6 (2004)

More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50423641
PNG
(A-198401 | CHEMBL303274)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69Cl2N3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-32(48)33(49)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42+,46+,47-/m1/s1
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0.631n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the rat Gonadotropin-releasing hormone receptor was evaluate...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50211342
PNG
(2,4-dichloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H33Cl2N3O3S/c1-18(2)33-24-6-4-3-5-23(24)30-15-13-29(14-16-30)21-10-8-20(9-11-21)28-34(31,32)25-12-7-19(26)17-22(25)27/h3-7,12,17-18,20-21,28H,8-11,13-16H2,1-2H3/t20-,21+
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0.640n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1D receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50211322
PNG
(CHEMBL391530 | N-((1s,4s)-4-(4-(2-isopropoxyphenyl...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C27H39N3O5S/c1-20(2)35-25-8-6-5-7-24(25)30-17-15-29(16-18-30)22-11-9-21(10-12-22)28-36(31,32)23-13-14-26(33-3)27(19-23)34-4/h5-8,13-14,19-22,28H,9-12,15-18H2,1-4H3/t21-,22+
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0.680n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor


Bioorg Med Chem Lett 17: 6123-8 (2007)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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0.690n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50211328
PNG
(3-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piper...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C25H34FN3O3S/c1-19(2)32-25-9-4-3-8-24(25)29-16-14-28(15-17-29)22-12-10-21(11-13-22)27-33(30,31)23-7-5-6-20(26)18-23/h3-9,18-19,21-22,27H,10-17H2,1-2H3/t21-,22-
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0.730n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50211330
PNG
(5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,9-12,14-17H2,1-3H3/t21-,22+
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0.75n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1D receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50211320
PNG
(2-cyano-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)pipera...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C26H34N4O3S/c1-20(2)33-25-9-5-4-8-24(25)30-17-15-29(16-18-30)23-13-11-22(12-14-23)28-34(31,32)26-10-6-3-7-21(26)19-27/h3-10,20,22-23,28H,11-18H2,1-2H3/t22-,23-
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0.770n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50213521
PNG
(CHEMBL390129 | N-((1s,4s)-4-(4-(2-isopropoxyphenyl...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C28H40N2O5S/c1-20(2)35-26-8-6-5-7-25(26)21-15-17-30(18-16-21)23-11-9-22(10-12-23)29-36(31,32)24-13-14-27(33-3)28(19-24)34-4/h5-8,13-14,19-23,29H,9-12,15-18H2,1-4H3/t22-,23+
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0.770n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor


Bioorg Med Chem Lett 17: 3930-4 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50203484
PNG
(6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-23-8-4-3-7-22(23)29-16-14-28(15-17-29)19-9-11-20(12-10-19)30-25(31)21-6-5-13-27-24(21)26(30)32/h3-8,13,18-20H,9-12,14-17H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50203486
PNG
(2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccncc2C1=O
Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-24-6-4-3-5-23(24)29-15-13-28(14-16-29)19-7-9-20(10-8-19)30-25(31)21-11-12-27-17-22(21)26(30)32/h3-6,11-12,17-20H,7-10,13-16H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50211356
PNG
(5-bromo-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)pipera...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C26H36BrN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,9-12,14-17H2,1-3H3/t21-,22+
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1D receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50203781
PNG
((2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]py...)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C78H107N21O17/c1-41(2)30-50(79)77(116)99-29-15-23-61(99)76(115)98-60(38-64(82)103)75(114)94-56(34-46-24-26-48(100)27-25-46)72(111)97-59(37-63(81)102)74(113)95-57(35-47-39-87-51-21-13-12-20-49(47)51)73(112)96-58(36-62(80)101)70(109)89-43(5)67(106)93-55(33-45-18-10-7-11-19-45)68(107)88-40-65(104)90-54(31-42(3)4)71(110)91-52(22-14-28-86-78(84)85)69(108)92-53(66(83)105)32-44-16-8-6-9-17-44/h6-13,16-21,24-27,39,41-43,50,52-61,87,100H,14-15,22-23,28-38,40,79H2,1-5H3,(H2,80,101)(H2,81,102)(H2,82,103)(H2,83,105)(H,88,107)(H,89,109)(H,90,104)(H,91,110)(H,92,108)(H,93,106)(H,94,114)(H,95,113)(H,96,112)(H,97,111)(H,98,115)(H4,84,85,86)/t43-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



University of Minnesota Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [125]metastin from metastin receptor


J Med Chem 50: 462-71 (2007)

More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.860n/an/an/an/an/an/an/an/a



DVanderbilt Program in Drug Discovery

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat recombinant muscarinic M5 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting


Nat Chem Biol 4: 42-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50211350
PNG
(2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piper...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C25H34FN3O3S/c1-19(2)32-24-9-5-4-8-23(24)29-17-15-28(16-18-29)21-13-11-20(12-14-21)27-33(30,31)25-10-6-3-7-22(25)26/h3-10,19-21,27H,11-18H2,1-2H3/t20-,21-
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0.880n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50258612
PNG
(3-Fluoro-5-cyano-1-(2-methylthiazol-4-ylethynyl)be...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C13H7FN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
PDB
MMDB

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0.900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from cloned mGluR5 (unknown origin) expressed in HEK293T cells by scintillation counting


J Med Chem 52: 3563-75 (2009)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50211319
PNG
(CHEMBL233623 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...)
Show SMILES COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C27H39N3O4S/c1-20(2)34-25-8-6-5-7-24(25)30-17-15-29(16-18-30)23-12-10-22(11-13-23)28-35(31,32)27-19-21(3)9-14-26(27)33-4/h5-9,14,19-20,22-23,28H,10-13,15-18H2,1-4H3/t22-,23-
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50213511
PNG
(CHEMBL229085 | N-((1s,4s)-4-(4-(2-cyclopropoxyphen...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1
Show InChI InChI=1S/C28H38N2O5S/c1-33-27-14-13-24(19-28(27)34-2)36(31,32)29-21-7-9-22(10-8-21)30-17-15-20(16-18-30)25-5-3-4-6-26(25)35-23-11-12-23/h3-6,13-14,19-23,29H,7-12,15-18H2,1-2H3/t21-,22+
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0.910n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1a receptor


Bioorg Med Chem Lett 17: 6123-8 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50213511
PNG
(CHEMBL229085 | N-((1s,4s)-4-(4-(2-cyclopropoxyphen...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1
Show InChI InChI=1S/C28H38N2O5S/c1-33-27-14-13-24(19-28(27)34-2)36(31,32)29-21-7-9-22(10-8-21)30-17-15-20(16-18-30)25-5-3-4-6-26(25)35-23-11-12-23/h3-6,13-14,19-23,29H,7-12,15-18H2,1-2H3/t21-,22+
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0.910n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1a receptor


Bioorg Med Chem Lett 17: 3930-4 (2007)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.960n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50213529
PNG
(5-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-(2,2,2-triflu...)
Show SMILES Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C25H29ClF4N2O3S/c26-18-5-10-22(27)24(15-18)36(33,34)31-19-6-8-20(9-7-19)32-13-11-17(12-14-32)21-3-1-2-4-23(21)35-16-25(28,29)30/h1-5,10,15,17,19-20,31H,6-9,11-14,16H2/t19-,20+
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0.980n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor


Bioorg Med Chem Lett 17: 3930-4 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50211330
PNG
(5-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piper...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C26H36ClN3O4S/c1-19(2)34-24-7-5-4-6-23(24)30-16-14-29(15-17-30)22-11-9-21(10-12-22)28-35(31,32)26-18-20(27)8-13-25(26)33-3/h4-8,13,18-19,21-22,28H,9-12,14-17H2,1-3H3/t21-,22+
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50211336
PNG
(CHEMBL234422 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...)
Show SMILES COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)[N+]([O-])=O
Show InChI InChI=1S/C26H36N4O6S/c1-19(2)36-24-7-5-4-6-23(24)29-16-14-28(15-17-29)21-10-8-20(9-11-21)27-37(33,34)26-18-22(30(31)32)12-13-25(26)35-3/h4-7,12-13,18-21,27H,8-11,14-17H2,1-3H3/t20-,21-
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50211345
PNG
(CHEMBL232593 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C25H34N4O5S/c1-19(2)34-24-9-5-3-7-22(24)28-17-15-27(16-18-28)21-13-11-20(12-14-21)26-35(32,33)25-10-6-4-8-23(25)29(30)31/h3-10,19-21,26H,11-18H2,1-2H3/t20-,21-
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50203482
PNG
(4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50211322
PNG
(CHEMBL391530 | N-((1s,4s)-4-(4-(2-isopropoxyphenyl...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C27H39N3O5S/c1-20(2)35-25-8-6-5-7-24(25)30-17-15-29(16-18-30)22-11-9-21(10-12-22)28-36(31,32)23-13-14-26(33-3)27(19-23)34-4/h5-8,13-14,19-22,28H,9-12,15-18H2,1-4H3/t21-,22+
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1D receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50109235
PNG
(7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-{[...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NCCCc3ccccc3)c(=O)n2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C43H45FN6O3/c1-3-12-40(51)47-35-21-19-32(20-22-35)36-27-41-49(28-33-16-7-8-18-38(33)44)29-37(42(52)46-25-11-15-31-13-5-4-6-14-31)43(53)50(41)39(36)30-48(2)26-23-34-17-9-10-24-45-34/h4-10,13-14,16-22,24,27,29H,3,11-12,15,23,25-26,28,30H2,1-2H3,(H,46,52)(H,47,51)
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human gonadotropin-releasing hormone (hGnRH) receptor expressed in HEK293 cells using des-Gly10[125I-Tyr,5DLeu,6NMeLeu,7Pro9-NEt]...


Citation and Details
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50203803
PNG
((2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]py...)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C78H107N21O18/c1-41(2)29-49(79)77(117)99-28-14-22-61(99)76(116)97-59(37-64(82)104)73(113)93-55(33-45-23-25-47(101)26-24-45)70(110)95-57(35-62(80)102)72(112)94-56(34-46-38-87-50-20-12-11-19-48(46)50)71(111)96-58(36-63(81)103)74(114)98-60(40-100)75(115)92-54(32-44-17-9-6-10-18-44)67(107)88-39-65(105)89-53(30-42(3)4)69(109)90-51(21-13-27-86-78(84)85)68(108)91-52(66(83)106)31-43-15-7-5-8-16-43/h5-12,15-20,23-26,38,41-42,49,51-61,87,100-101H,13-14,21-22,27-37,39-40,79H2,1-4H3,(H2,80,102)(H2,81,103)(H2,82,104)(H2,83,106)(H,88,107)(H,89,105)(H,90,109)(H,91,108)(H,92,115)(H,93,113)(H,94,112)(H,95,110)(H,96,111)(H,97,116)(H,98,114)(H4,84,85,86)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Minnesota Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [125]metastin from metastin receptor


J Med Chem 50: 462-71 (2007)

More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50140110
PNG
((R)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyph...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2ccccn2)c1=O
Show InChI InChI=1S/C28H27F3N4O3/c1-17(33-14-19-8-4-5-13-32-19)15-35-27(36)25(20-9-6-12-24(38-3)26(20)31)18(2)34(28(35)37)16-21-22(29)10-7-11-23(21)30/h4-13,17,33H,14-16H2,1-3H3/t17-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity evaluated by the ability to inhibit des-Gly10[125I]Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]- Gonadotropin-releasing hormone binding to cloned h...


J Med Chem 47: 1259-71 (2004)

More data for this
Ligand-Target Pair
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