Found 322 hits with Last Name = 'lundquist' and Initial = 'j' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50243699
(2-(trifluoromethyl)-7-(2-(4-(2-(trifluoromethyl)-1...)Show SMILES FC(F)(F)c1nc2cccc(OCCN3CCN(CC3)c3cccc4[nH]c(nc34)C(F)(F)F)c2[nH]1 Show InChI InChI=1S/C22H20F6N6O/c23-21(24,25)19-29-13-3-1-5-15(17(13)31-19)34-9-7-33(8-10-34)11-12-35-16-6-2-4-14-18(16)32-20(30-14)22(26,27)28/h1-6H,7-12H2,(H,29,31)(H,30,32) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1D receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50243700
(4-(2-(4-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4...)Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1 Show InChI InChI=1S/C21H21F3N6OS/c22-21(23,24)19-25-13-3-1-5-15(17(13)27-19)30-9-7-29(8-10-30)11-12-31-16-6-2-4-14-18(16)28-20(32)26-14/h1-6H,7-12H2,(H,25,27)(H2,26,28,32) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1A receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50243699
(2-(trifluoromethyl)-7-(2-(4-(2-(trifluoromethyl)-1...)Show SMILES FC(F)(F)c1nc2cccc(OCCN3CCN(CC3)c3cccc4[nH]c(nc34)C(F)(F)F)c2[nH]1 Show InChI InChI=1S/C22H20F6N6O/c23-21(24,25)19-29-13-3-1-5-15(17(13)31-19)34-9-7-33(8-10-34)11-12-35-16-6-2-4-14-18(16)32-20(30-14)22(26,27)28/h1-6H,7-12H2,(H,29,31)(H,30,32) | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1A receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1/2
(Homo sapiens (Human)) | BDBM50086639
((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2-Amino-5-gua...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C32H52N8O7/c1-5-19(4)26(29(44)38-24(31(46)47)16-18(2)3)39-27(42)23(17-20-10-12-21(41)13-11-20)37-28(43)25-9-7-15-40(25)30(45)22(33)8-6-14-36-32(34)35/h10-13,18-19,22-26,41H,5-9,14-17,33H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)(H,46,47)(H4,34,35,36)/t19-,22-,23-,24-,25-,26-/m0/s1 | PDB
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PC sid
UniChem
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells. |
Bioorg Med Chem Lett 9: 2579-82 (1999)
BindingDB Entry DOI: 10.7270/Q27M0B4X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50243699
(2-(trifluoromethyl)-7-(2-(4-(2-(trifluoromethyl)-1...)Show SMILES FC(F)(F)c1nc2cccc(OCCN3CCN(CC3)c3cccc4[nH]c(nc34)C(F)(F)F)c2[nH]1 Show InChI InChI=1S/C22H20F6N6O/c23-21(24,25)19-29-13-3-1-5-15(17(13)31-19)34-9-7-33(8-10-34)11-12-35-16-6-2-4-14-18(16)32-20(30-14)22(26,27)28/h1-6H,7-12H2,(H,29,31)(H,30,32) | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1B receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50244213
(5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C28H34N6O2/c1-5-33-18-20(26(35)31-27(33)36)17-32-13-15-34(16-14-32)23-8-6-7-22-24(23)30-25(29-22)19-9-11-21(12-10-19)28(2,3)4/h6-12,18H,5,13-17H2,1-4H3,(H,29,30)(H,31,35,36) | PDB
MMDB
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| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2A receptor (unknown origin) |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50256882
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1 Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34) | PDB
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human neurokinin NK2 receptor |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1/2
(Homo sapiens (Human)) | BDBM50217111
(CHEMBL1790704)Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@H](-[#6@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O)cc1 Show InChI InChI=1S/C38H60N8O8/c1-5-24(4)32(35(50)44-29(37(52)53)21-23(2)3)45-33(48)28-22-25-14-16-26(17-15-25)54-20-8-6-7-13-31(47)42-27(11-9-18-41-38(39)40)36(51)46-19-10-12-30(46)34(49)43-28/h14-17,23-24,27-30,32H,5-13,18-22H2,1-4H3,(H,42,47)(H,43,49)(H,44,50)(H,45,48)(H,52,53)(H4,39,40,41)/t24-,27-,28+,29+,30+,32-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells. |
Bioorg Med Chem Lett 9: 2579-82 (1999)
BindingDB Entry DOI: 10.7270/Q27M0B4X |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50256882
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1 Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34) | PDB
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| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H2 receptor |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1/2
(Homo sapiens (Human)) | BDBM50217110
(CHEMBL1790701)Show SMILES [H][C@@]12CCCN1C(=O)CCCCCOc1ccc(C[C@H](NC2=O)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O)cc1 Show InChI InChI=1S/C32H48N4O7/c1-5-21(4)28(31(40)34-25(32(41)42)18-20(2)3)35-29(38)24-19-22-12-14-23(15-13-22)43-17-8-6-7-11-27(37)36-16-9-10-26(36)30(39)33-24/h12-15,20-21,24-26,28H,5-11,16-19H2,1-4H3,(H,33,39)(H,34,40)(H,35,38)(H,41,42)/t21-,24+,25+,26+,28-/m1/s1 | PDB
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells. |
Bioorg Med Chem Lett 9: 2579-82 (1999)
BindingDB Entry DOI: 10.7270/Q27M0B4X |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50086637
((S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-Amino-2-((S...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C36H60N8O8/c1-5-22(4)30(34(49)42-28(36(51)52)19-21(2)3)43-32(47)27(20-23-12-14-24(45)15-13-23)41-33(48)29-11-8-18-44(29)35(50)26(10-7-17-38)40-31(46)25(39)9-6-16-37/h12-15,21-22,25-30,45H,5-11,16-20,37-39H2,1-4H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H,51,52)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Compound was evaluated for the binding affinity against human neurotensin receptor (hNTR)-1 expressed in CHO cells |
Bioorg Med Chem Lett 10: 453-5 (2000)
BindingDB Entry DOI: 10.7270/Q2X929H9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244213
(5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C28H34N6O2/c1-5-33-18-20(26(35)31-27(33)36)17-32-13-15-34(16-14-32)23-8-6-7-22-24(23)30-25(29-22)19-9-11-21(12-10-19)28(2,3)4/h6-12,18H,5,13-17H2,1-4H3,(H,29,30)(H,31,35,36) | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor |
Bioorg Med Chem Lett 19: 1986-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244213
(5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C28H34N6O2/c1-5-33-18-20(26(35)31-27(33)36)17-32-13-15-34(16-14-32)23-8-6-7-22-24(23)30-25(29-22)19-9-11-21(12-10-19)28(2,3)4/h6-12,18H,5,13-17H2,1-4H3,(H,29,30)(H,31,35,36) | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50256836
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cnc3[nH]c(=O)c(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C29H31N7O2/c1-29(2,3)20-9-7-19(8-10-20)25-31-21-5-4-6-23(24(21)33-25)36-13-11-35(12-14-36)17-18-15-22-26(30-16-18)34-28(38)27(37)32-22/h4-10,15-16H,11-14,17H2,1-3H3,(H,31,33)(H,32,37)(H,30,34,38) | PDB
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PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50243853
(4-(3-(4-(2-(Trifluoromethyl)-1H-benzo[d]imidazol-4...)Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCCOc2cccc3[nH]c(=S)[nH]c23)CC1 Show InChI InChI=1S/C22H23F3N6OS/c23-22(24,25)20-26-14-4-1-6-16(18(14)28-20)31-11-9-30(10-12-31)8-3-13-32-17-7-2-5-15-19(17)29-21(33)27-15/h1-2,4-7H,3,8-13H2,(H,26,28)(H2,27,29,33) | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1A receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50315277
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)Show SMILES CCn1cc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36) | PDB
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PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting |
Bioorg Med Chem Lett 20: 2512-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50256834
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES Cn1c2cc(CN3CCN(CC3)c3cccc4[nH]c(nc34)-c3ccc(cc3)C(C)(C)C)ccc2[nH]c(=O)c1=O Show InChI InChI=1S/C31H34N6O2/c1-31(2,3)22-11-9-21(10-12-22)28-32-24-6-5-7-25(27(24)34-28)37-16-14-36(15-17-37)19-20-8-13-23-26(18-20)35(4)30(39)29(38)33-23/h5-13,18H,14-17,19H2,1-4H3,(H,32,34)(H,33,38) | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50086643
((S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(3-Amino-pr...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C34H55N9O7/c1-5-22(4)29(32(47)39-27(34(49)50)19-21(2)3)40-30(45)26(20-23-11-13-24(44)14-12-23)38-31(46)28-10-7-18-43(28)33(48)25(41-42-36)9-6-16-37-17-8-15-35/h11-14,21-22,25-29,37,44H,5-10,15-20,35H2,1-4H3,(H,38,46)(H,39,47)(H,40,45)(H,49,50)/t22-,25-,26-,27-,28-,29-/m0/s1 | PDB
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Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Compound was evaluated for the binding affinity against human neurotensin receptor (hNTR)-1 expressed in CHO cells |
Bioorg Med Chem Lett 10: 453-5 (2000)
BindingDB Entry DOI: 10.7270/Q2X929H9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244213
(5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C28H34N6O2/c1-5-33-18-20(26(35)31-27(33)36)17-32-13-15-34(16-14-32)23-8-6-7-22-24(23)30-25(29-22)19-9-11-21(12-10-19)28(2,3)4/h6-12,18H,5,13-17H2,1-4H3,(H,29,30)(H,31,35,36) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant GnRH receptor assessed as reduction in (D-Trp6)LHRH-induced myo-(1,2)-[3H]inositol production |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244213
(5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C28H34N6O2/c1-5-33-18-20(26(35)31-27(33)36)17-32-13-15-34(16-14-32)23-8-6-7-22-24(23)30-25(29-22)19-9-11-21(12-10-19)28(2,3)4/h6-12,18H,5,13-17H2,1-4H3,(H,29,30)(H,31,35,36) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant GnRH receptor expressed in HEK293 cells assessed as reduction in (D-Trp6)-GnRH-stimulated IP production by w... |
Bioorg Med Chem Lett 19: 1986-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50315276
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)Show SMILES CC(C)(C)c1ccc(cc1)-c1cn2cccc(N3CCN(Cc4c[nH]c(=O)[nH]c4=O)CC3)c2n1 Show InChI InChI=1S/C26H30N6O2/c1-26(2,3)20-8-6-18(7-9-20)21-17-32-10-4-5-22(23(32)28-21)31-13-11-30(12-14-31)16-19-15-27-25(34)29-24(19)33/h4-10,15,17H,11-14,16H2,1-3H3,(H2,27,29,33,34) | PDB
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| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting |
Bioorg Med Chem Lett 20: 2512-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244211
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38) | PDB
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| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244211
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38) | PDB
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| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50315277
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)Show SMILES CCn1cc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36) | PDB
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Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant GNRH receptor assessed as inhibition of D-Trp6-GNRH-induced IP accumulation after 1 hr by rapid filtration a... |
Bioorg Med Chem Lett 20: 2512-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244212
(5-((4-(2-(4-tert-Butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2c[nH]c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C26H30N6O2/c1-26(2,3)19-9-7-17(8-10-19)23-28-20-5-4-6-21(22(20)29-23)32-13-11-31(12-14-32)16-18-15-27-25(34)30-24(18)33/h4-10,15H,11-14,16H2,1-3H3,(H,28,29)(H2,27,30,33,34) | PDB
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50256835
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)n(Cc4cccnc4)c3c2)CC1 Show InChI InChI=1S/C36H37N7O2/c1-36(2,3)27-12-10-26(11-13-27)33-38-29-7-4-8-30(32(29)40-33)42-18-16-41(17-19-42)22-24-9-14-28-31(20-24)43(35(45)34(44)39-28)23-25-6-5-15-37-21-25/h4-15,20-21H,16-19,22-23H2,1-3H3,(H,38,40)(H,39,44) | PDB
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| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50315277
(5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin...)Show SMILES CCn1cc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36) | KEGG
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| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp6-GnRH from rat recombinant GNRH receptor by scintillation counting |
Bioorg Med Chem Lett 20: 2512-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244176
(5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1 Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-12-10-19(11-13-21)27-31-23-8-5-9-24(26(23)33-27)36-16-14-35(15-17-36)18-20-6-4-7-22-25(20)34-29(38)28(37)32-22/h4-13H,14-18H2,1-3H3,(H,31,33)(H,32,37)(H,34,38) | PDB
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| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50258205
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-5-methyl-1H-...)Show SMILES CCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C28H36N6/c1-6-33-19-29-24(20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-23-26(25)31-27(30-23)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31) | PDB
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| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting |
Bioorg Med Chem Lett 20: 2512-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244135
(4-{4-[2-(4-tert-Butyl-phenyl)-1H-benzoimidazol-4-y...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=S)[nH]c23)CC1 Show InChI InChI=1S/C29H32N6S/c1-29(2,3)21-12-10-19(11-13-21)27-30-23-8-5-9-24(26(23)32-27)35-16-14-34(15-17-35)18-20-6-4-7-22-25(20)33-28(36)31-22/h4-13H,14-18H2,1-3H3,(H,30,32)(H2,31,33,36) | PDB
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| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50315275
(2-(4-tert-butylphenyl)-8-(4-((1-ethyl-5-methyl-1H-...)Show SMILES CCn1cnc(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C28H36N6/c1-6-32-20-29-24(21(32)2)18-31-14-16-33(17-15-31)26-8-7-13-34-19-25(30-27(26)34)22-9-11-23(12-10-22)28(3,4)5/h7-13,19-20H,6,14-18H2,1-5H3 | PDB
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| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting |
Bioorg Med Chem Lett 20: 2512-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50258205
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-5-methyl-1H-...)Show SMILES CCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C28H36N6/c1-6-33-19-29-24(20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-23-26(25)31-27(30-23)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31) | PDB
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Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor |
Bioorg Med Chem Lett 19: 1986-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50256834
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES Cn1c2cc(CN3CCN(CC3)c3cccc4[nH]c(nc34)-c3ccc(cc3)C(C)(C)C)ccc2[nH]c(=O)c1=O Show InChI InChI=1S/C31H34N6O2/c1-31(2,3)22-11-9-21(10-12-22)28-32-24-6-5-7-25(27(24)34-28)37-16-14-36(15-17-37)19-20-8-13-23-26(18-20)35(4)30(39)29(38)33-23/h5-13,18H,14-17,19H2,1-4H3,(H,32,34)(H,33,38) | PDB
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| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50258018
(2-(4-tert-butylphenyl)-4-(4-((2-methyl-1H-imidazol...)Show SMILES Cc1ncc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1 Show InChI InChI=1S/C26H32N6/c1-18-27-16-21(28-18)17-31-12-14-32(15-13-31)23-7-5-6-22-24(23)30-25(29-22)19-8-10-20(11-9-19)26(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H,27,28)(H,29,30) | PDB
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| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor |
Bioorg Med Chem Lett 19: 1986-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50257669
(2-(4-tert-butylphenyl)-4-(4-((1,2-diethyl-5-methyl...)Show SMILES CCc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c(C)n1CC Show InChI InChI=1S/C30H40N6/c1-7-27-31-25(21(3)36(27)8-2)20-34-16-18-35(19-17-34)26-11-9-10-24-28(26)33-29(32-24)22-12-14-23(15-13-22)30(4,5)6/h9-15H,7-8,16-20H2,1-6H3,(H,32,33) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor |
Bioorg Med Chem Lett 19: 1986-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244175
(4-{4-[2-(4-tert-Butyl-phenyl)-1H-benzoimidazol-4-y...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)[nH]c23)CC1 Show InChI InChI=1S/C29H32N6O/c1-29(2,3)21-12-10-19(11-13-21)27-30-23-8-5-9-24(26(23)32-27)35-16-14-34(15-17-35)18-20-6-4-7-22-25(20)33-28(36)31-22/h4-13H,14-18H2,1-3H3,(H,30,32)(H2,31,33,36) | PDB
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| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50086642
((S)-2-{(2S,3S)-2-[(S)-2-[((S)-1-{(S)-5-[2-(2-Amino...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCNCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C35H58N10O7/c1-5-23(4)30(33(49)41-28(35(51)52)20-22(2)3)42-31(47)27(21-24-10-12-25(46)13-11-24)40-32(48)29-9-7-19-45(29)34(50)26(43-44-37)8-6-15-38-17-18-39-16-14-36/h10-13,22-23,26-30,38-39,46H,5-9,14-21,36H2,1-4H3,(H,40,48)(H,41,49)(H,42,47)(H,51,52)/t23-,26-,27-,28-,29-,30-/m0/s1 | PDB
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Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Compound was evaluated for the binding affinity against human neurotensin receptor (hNTR)-1 expressed in CHO cells |
Bioorg Med Chem Lett 10: 453-5 (2000)
BindingDB Entry DOI: 10.7270/Q2X929H9 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50086638
((S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(4-Amino-bu...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C35H57N9O7/c1-5-23(4)30(33(48)40-28(35(50)51)20-22(2)3)41-31(46)27(21-24-12-14-25(45)15-13-24)39-32(47)29-11-9-19-44(29)34(49)26(42-43-37)10-8-18-38-17-7-6-16-36/h12-15,22-23,26-30,38,45H,5-11,16-21,36H2,1-4H3,(H,39,47)(H,40,48)(H,41,46)(H,50,51)/t23-,26-,27-,28-,29-,30-/m0/s1 | PDB
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| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Compound was evaluated for the binding affinity against human neurotensin receptor (hNTR)-1 expressed in CHO cells |
Bioorg Med Chem Lett 10: 453-5 (2000)
BindingDB Entry DOI: 10.7270/Q2X929H9 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244211
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38) | PDB
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| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant GnRH receptor assessed as reduction in (D-Trp6)LHRH-induced myo-(1,2)-[3H]inositol production |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244211
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-10-8-20(9-11-21)27-31-23-5-4-6-25(26(23)34-27)36-15-13-35(14-16-36)18-19-7-12-22-24(17-19)33-29(38)28(37)32-22/h4-12,17H,13-16,18H2,1-3H3,(H,31,34)(H,32,37)(H,33,38) | PDB
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| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50256836
(7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cnc3[nH]c(=O)c(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C29H31N7O2/c1-29(2,3)20-9-7-19(8-10-20)25-31-21-5-4-6-23(24(21)33-25)36-13-11-35(12-14-36)17-18-15-22-26(30-16-18)34-28(38)27(37)32-22/h4-10,15-16H,11-14,17H2,1-3H3,(H,31,33)(H,32,37)(H,30,34,38) | PDB
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| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50315271
(2-(4-tert-butylphenyl)-8-(4-((2-ethyl-5-methyl-1H-...)Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cccn3cc(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1 Show InChI InChI=1S/C28H36N6/c1-6-26-29-20(2)23(30-26)18-32-14-16-33(17-15-32)25-8-7-13-34-19-24(31-27(25)34)21-9-11-22(12-10-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,29,30) | PDB
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| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting |
Bioorg Med Chem Lett 20: 2512-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50261251
(2-(4-tert-butylphenyl)-4-(4-((2-ethyl-4-methyl-1H-...)Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1 Show InChI InChI=1S/C28H36N6/c1-6-25-29-19(2)23(30-25)18-33-14-16-34(17-15-33)24-9-7-8-22-26(24)32-27(31-22)20-10-12-21(13-11-20)28(3,4)5/h7-13H,6,14-18H2,1-5H3,(H,29,30)(H,31,32) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting |
Bioorg Med Chem Lett 20: 2512-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50257513
(2-(4-tert-butylphenyl)-4-(4-((1,2-dimethyl-1H-imid...)Show SMILES Cc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)cn1C Show InChI InChI=1S/C27H34N6/c1-19-28-22(17-31(19)5)18-32-13-15-33(16-14-32)24-8-6-7-23-25(24)30-26(29-23)20-9-11-21(12-10-20)27(2,3)4/h6-12,17H,13-16,18H2,1-5H3,(H,29,30) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor |
Bioorg Med Chem Lett 19: 1986-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50257516
(2-(4-tert-butylphenyl)-4-(4-((1-ethyl-2-methyl-1H-...)Show SMILES CCn1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)nc1C Show InChI InChI=1S/C28H36N6/c1-6-33-19-23(29-20(33)2)18-32-14-16-34(17-15-32)25-9-7-8-24-26(25)31-27(30-24)21-10-12-22(13-11-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,30,31) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor |
Bioorg Med Chem Lett 19: 1986-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50257668
(2-(4-tert-butylphenyl)-4-(4-((1,2-diethyl-1H-imida...)Show SMILES CCc1nc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)cn1CC Show InChI InChI=1S/C29H38N6/c1-6-26-30-23(20-34(26)7-2)19-33-15-17-35(18-16-33)25-10-8-9-24-27(25)32-28(31-24)21-11-13-22(14-12-21)29(3,4)5/h8-14,20H,6-7,15-19H2,1-5H3,(H,31,32) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor |
Bioorg Med Chem Lett 19: 1986-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50244212
(5-((4-(2-(4-tert-Butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2c[nH]c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C26H30N6O2/c1-26(2,3)19-9-7-17(8-10-19)23-28-20-5-4-6-21(22(20)29-23)32-13-11-31(12-14-32)16-18-15-27-25(34)30-24(18)33/h4-10,15H,11-14,16H2,1-3H3,(H,28,29)(H2,27,30,33,34) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant GnRH receptor assessed as reduction in (D-Trp6)LHRH-induced myo-(1,2)-[3H]inositol production |
Bioorg Med Chem 16: 6617-40 (2008)
Article DOI: 10.1016/j.bmc.2008.05.024
BindingDB Entry DOI: 10.7270/Q2FB52Q7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50258245
(2-(4-tert-butylphenyl)-4-(4-((5-methyl-1-propyl-1H...)Show SMILES CCCn1cnc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C29H38N6/c1-6-14-35-20-30-25(21(35)2)19-33-15-17-34(18-16-33)26-9-7-8-24-27(26)32-28(31-24)22-10-12-23(13-11-22)29(3,4)5/h7-13,20H,6,14-19H2,1-5H3,(H,31,32) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor |
Bioorg Med Chem Lett 19: 1986-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50256882
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1 Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor |
J Med Chem 52: 2148-52 (2009)
Article DOI: 10.1021/jm801572m
BindingDB Entry DOI: 10.7270/Q2ZC82RT |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50256882
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1 Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34) | PDB
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Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting |
Bioorg Med Chem Lett 20: 2512-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.099
BindingDB Entry DOI: 10.7270/Q2W0962G |
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Ligand-Target Pair | |
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