Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50020798 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 |
|---|
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217674
((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...)Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,5.04,;19.05,4.28,;19.03,2.74,;17.7,1.99,;16.37,2.77,;15.03,2.01,;15.03,.47,;16.37,-.32,;16.37,-1.87,;15.02,-2.64,;13.67,-1.87,;13.68,-.31,;15.02,-4.19,;13.69,-4.96,;12.35,-4.19,;12.35,-2.65,;11.02,-4.96,;9.69,-4.19,;9.69,-2.66,;8.36,-1.89,;7.03,-2.66,;7.03,-4.2,;8.36,-4.97,;16.36,-4.97,;16.36,-6.53,;17.7,-4.19,;19.04,-4.96,;20.37,-4.19,;21.71,-4.96,;22.29,-3.53,;23.82,-3.63,;24.2,-5.13,;25.54,-5.86,;25.59,-7.39,;24.29,-8.2,;22.93,-7.47,;22.89,-5.94,;16.37,4.3,;17.72,5.06,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22- | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217686
(CHEMBL399810 | N-(4-cyanobenzyl)-N-(4-((4-aminocyc...)Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(23.5,-13.29,;22.17,-14.06,;22.18,-15.6,;20.86,-16.39,;19.51,-15.62,;18.19,-16.4,;18.21,-17.94,;19.56,-18.71,;19.58,-20.26,;18.24,-21.05,;16.88,-20.3,;16.87,-18.74,;18.27,-22.61,;16.95,-23.4,;15.6,-22.65,;15.67,-21.11,;14.37,-20.29,;13,-21,;12.95,-22.55,;14.25,-23.37,;11.7,-20.18,;10.4,-19.36,;19.62,-23.37,;19.65,-24.92,;20.95,-22.57,;22.29,-23.3,;23.63,-22.53,;24.95,-23.29,;26.36,-22.62,;27.42,-23.75,;26.67,-25.1,;27.16,-26.54,;26.16,-27.7,;24.64,-27.4,;24.15,-25.95,;25.16,-24.79,;19.5,-14.09,;20.83,-13.31,)| Show InChI InChI=1S/C33H42N4O/c34-21-26-8-10-27(11-9-26)23-37(30-18-14-25(15-19-30)20-24-12-16-29(35)17-13-24)33(38)7-3-4-28-22-36-32-6-2-1-5-31(28)32/h1-2,5-6,8-11,22,24-25,29-30,36H,3-4,7,12-20,23,35H2 | PDB
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| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217671
((Z)-N-(4-((4-amino-3-methylcyclohexyl)methyl)-2-me...)Show SMILES CC1CC(CC2CCC(C(C)C2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CCC1N |w:8.12,5.4,3.3,9.9,39.44,1.0| Show InChI InChI=1S/C36H48ClN3O/c1-25-19-28(15-17-33(25)38)21-29-16-18-35(26(2)20-29)40(24-31(37)22-27-9-4-3-5-10-27)36(41)14-8-11-30-23-39-34-13-7-6-12-32(30)34/h3-7,9-10,12-13,22-23,25-26,28-29,33,35,39H,8,11,14-21,24,38H2,1-2H3/b31-22- | PDB
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PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217722
((2R,E)-2-amino-N-(4-ethyl-4-(methylamino)octyl)-3-...)Show SMILES COc1ccccc1\C=C\CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(6.92,-42.53,;8.24,-41.74,;8.21,-40.2,;6.86,-39.46,;6.83,-37.91,;8.16,-37.12,;9.5,-37.87,;9.52,-39.41,;10.87,-40.16,;12.19,-39.36,;13.53,-40.11,;14.85,-39.32,;14.83,-37.77,;16.17,-36.98,;16.15,-35.42,;14.8,-34.66,;14.78,-33.12,;16.1,-32.34,;17.44,-33.1,;18.77,-32.32,;18.75,-30.78,;20.08,-30,;17.41,-30.03,;16.09,-30.81,;13.46,-35.45,;13.47,-37.02,;16.21,-40.08,;16.23,-41.64,;17.54,-39.28,;18.88,-40.02,;20.21,-39.25,;21.56,-39.98,;22.96,-39.33,;24.01,-40.47,;23.25,-41.81,;23.74,-43.26,;22.74,-44.41,;21.22,-44.11,;20.73,-42.66,;21.74,-41.51,)| Show InChI InChI=1S/C35H47N3O2/c1-40-34-13-5-2-8-28(34)10-7-23-38(31-21-17-27(18-22-31)24-26-15-19-30(36)20-16-26)35(39)14-6-9-29-25-37-33-12-4-3-11-32(29)33/h2-5,7-8,10-13,25-27,30-31,37H,6,9,14-24,36H2,1H3/b10-7+ | PDB
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PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217678
(CHEMBL235582 | N-(4-((4-aminocyclohexyl)methyl)cyc...)Show SMILES NC1CCC(CC2CCC(CC2)N(CC(Br)=C)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.22,4.36,;18.9,3.59,;18.91,2.05,;17.59,1.27,;16.25,2.03,;14.92,1.25,;14.94,-.29,;16.29,-1.05,;16.31,-2.61,;14.97,-3.39,;13.61,-2.65,;13.61,-1.08,;15,-4.95,;13.64,-5.91,;12.13,-5.21,;12.12,-3.54,;10.77,-6.18,;16.35,-5.71,;16.38,-7.26,;17.68,-4.91,;19.02,-5.65,;20.36,-4.88,;21.68,-5.64,;23.09,-4.97,;24.14,-6.09,;23.39,-7.44,;23.88,-8.88,;22.88,-10.04,;21.37,-9.74,;20.88,-8.29,;21.89,-7.13,;16.23,3.56,;17.56,4.34,)| Show InChI InChI=1S/C28H40BrN3O/c1-20(29)19-32(25-15-11-22(12-16-25)17-21-9-13-24(30)14-10-21)28(33)8-4-5-23-18-31-27-7-3-2-6-26(23)27/h2-3,6-7,18,21-22,24-25,31H,1,4-5,8-17,19,30H2 | PDB
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| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217634
((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...)Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)COc2ccc3ccccc3c2)CC1 |(15.37,-1.47,;14.05,-2.25,;14.06,-3.78,;12.74,-4.56,;11.4,-3.8,;10.08,-4.58,;10.1,-6.12,;11.45,-6.88,;11.47,-8.42,;10.13,-9.21,;8.78,-8.46,;8.77,-6.91,;10.16,-10.76,;8.83,-11.56,;7.47,-10.8,;7.45,-9.25,;6.14,-11.6,;4.79,-10.84,;4.77,-9.29,;3.42,-8.54,;2.09,-9.33,;2.11,-10.89,;3.47,-11.64,;11.51,-11.52,;11.54,-13.07,;12.84,-10.72,;14.17,-11.46,;15.5,-10.69,;16.82,-11.46,;18.16,-10.7,;18.15,-9.16,;19.48,-8.39,;19.48,-6.85,;18.14,-6.08,;16.81,-6.86,;16.82,-8.39,;15.49,-9.16,;11.39,-2.27,;12.71,-1.5,)| Show InChI InChI=1S/C34H41ClN2O2/c35-30(21-25-6-2-1-3-7-25)23-37(32-17-12-27(13-18-32)20-26-10-15-31(36)16-11-26)34(38)24-39-33-19-14-28-8-4-5-9-29(28)22-33/h1-9,14,19,21-22,26-27,31-32H,10-13,15-18,20,23-24,36H2/b30-21- | PDB
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PC cid
PC sid
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| Article
PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217647
(CHEMBL238154 | N-(4-((4-amino-3-methylcyclohexyl)m...)Show SMILES CC1CC(CC2CCC(C(C)C2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CCC1N |w:8.12,5.4,3.3,9.9,36.41,1.0| Show InChI InChI=1S/C34H47N3O/c1-24-19-27(15-17-31(24)35)21-28-16-18-33(25(2)20-28)37(23-26-9-4-3-5-10-26)34(38)14-8-11-29-22-36-32-13-7-6-12-30(29)32/h3-7,9-10,12-13,22,24-25,27-28,31,33,36H,8,11,14-21,23,35H2,1-2H3 | PDB
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PubMed
| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217644
(CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...)Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)| Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3 | PDB
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| 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217681
(CHEMBL238345 | N-(4-hydroxy-2-methoxycinnamyl)-N-(...)Show SMILES COc1cc(O)ccc1\C=C\CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(13.67,-7.89,;14.99,-7.1,;14.96,-5.56,;13.62,-4.82,;13.59,-3.27,;12.24,-2.52,;14.91,-2.48,;16.26,-3.23,;16.27,-4.77,;17.62,-5.52,;18.94,-4.73,;20.29,-5.49,;21.61,-4.69,;21.58,-3.14,;22.92,-2.35,;22.9,-.8,;21.55,-.03,;21.53,1.51,;22.85,2.29,;24.19,1.52,;25.52,2.3,;25.51,3.85,;26.83,4.62,;24.16,4.6,;22.84,3.82,;20.21,-.83,;20.22,-2.39,;22.96,-5.45,;22.99,-7.01,;24.29,-4.66,;25.63,-5.39,;26.96,-4.62,;28.28,-5.38,;29.7,-4.71,;30.75,-5.84,;30,-7.18,;30.49,-8.63,;29.49,-9.79,;27.97,-9.49,;27.48,-8.04,;28.5,-6.88,)| Show InChI InChI=1S/C35H47N3O3/c1-41-34-23-31(39)20-15-27(34)7-5-21-38(30-18-13-26(14-19-30)22-25-11-16-29(36)17-12-25)35(40)10-4-6-28-24-37-33-9-3-2-8-32(28)33/h2-3,5,7-9,15,20,23-26,29-30,37,39H,4,6,10-14,16-19,21-22,36H2,1H3/b7-5+ | PDB
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| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217749
(CHEMBL236020 | N-((Z)-2-chloro-3-phenyl-allyl)-N-[...)Show SMILES NC(N)=NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(37.75,-39.73,;39.09,-40.5,;40.42,-39.74,;39.08,-42.05,;37.77,-42.88,;37.84,-44.42,;36.55,-45.24,;35.19,-44.53,;33.89,-45.37,;33.97,-46.9,;35.34,-47.61,;35.41,-49.14,;34.12,-49.98,;32.75,-49.28,;32.68,-47.74,;34.21,-51.51,;32.88,-52.45,;31.47,-51.64,;31.48,-50.01,;30.06,-52.44,;28.66,-51.62,;28.67,-50,;27.27,-49.18,;25.86,-49.99,;25.85,-51.62,;27.26,-52.43,;35.53,-52.26,;35.56,-53.78,;36.85,-51.47,;38.21,-52.22,;39.52,-51.42,;40.86,-52.17,;40.76,-53.71,;42.19,-54.29,;43.17,-53.1,;44.7,-53.04,;45.42,-51.69,;44.59,-50.39,;43.07,-50.45,;42.36,-51.8,;35.11,-43,;36.41,-42.17,)| Show InChI InChI=1S/C35H46ClN5O/c36-29(22-25-7-2-1-3-8-25)24-41(34(42)12-6-9-28-23-39-33-11-5-4-10-32(28)33)31-19-15-27(16-20-31)21-26-13-17-30(18-14-26)40-35(37)38/h1-5,7-8,10-11,22-23,26-27,30-31,39H,6,9,12-21,24H2,(H4,37,38,40)/b29-22- | PDB
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PubMed
| 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50217650
(CHEMBL237919 | N-(4-((4-aminocyclohexyl)methyl)cyc...)Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(34.29,-13.78,;32.97,-14.56,;32.98,-16.09,;31.66,-16.87,;30.32,-16.11,;29,-16.89,;29.02,-18.43,;30.37,-19.19,;30.39,-20.73,;29.05,-21.52,;27.7,-20.77,;27.69,-19.21,;29.08,-23.07,;27.64,-23.9,;26.22,-23.07,;26.22,-21.41,;24.79,-20.58,;23.36,-21.4,;23.36,-23.07,;24.79,-23.89,;30.43,-23.83,;30.46,-25.38,;31.75,-23.03,;33.09,-23.77,;34.42,-23,;35.74,-23.76,;37.15,-23.09,;38.2,-24.21,;37.45,-25.55,;37.94,-26.99,;36.94,-28.15,;35.43,-27.85,;34.94,-26.4,;35.95,-25.25,;30.31,-14.58,;31.63,-13.81,)| Show InChI InChI=1S/C32H43N3O/c33-28-17-13-24(14-18-28)21-25-15-19-29(20-16-25)35(23-26-7-2-1-3-8-26)32(36)12-6-9-27-22-34-31-11-5-4-10-30(27)31/h1-5,7-8,10-11,22,24-25,28-29,34H,6,9,12-21,23,33H2 | PDB
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UniChem
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PubMed
| 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells |
Bioorg Med Chem 15: 5787-810 (2007)
Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5 |
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Ligand-Target Pair | |
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