Found 21 hits of Enzyme Inhibition Constant Data 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 4
(Homo sapiens (Human)) | BDBM50186367
(CHEMBL379959 | c(his-D-phe-arg-trp-Ahp))Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C39H51N11O5/c40-39(41)44-18-10-15-30-36(53)50-32(20-26-22-45-29-14-8-7-13-28(26)29)35(52)43-17-9-2-1-6-16-34(51)47-33(21-27-23-42-24-46-27)38(55)49-31(37(54)48-30)19-25-11-4-3-5-12-25/h3-5,7-8,11-14,22-24,30-33,45H,1-2,6,9-10,15-21H2,(H,42,46)(H,43,52)(H,47,51)(H,48,54)(H,49,55)(H,50,53)(H4,40,41,44)/t30-,31+,32+,33+/m0/s1 | PDB
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| 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186371
(CHEMBL264120 | c(his-D-phe-arg-trp-Aoc))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC[C@H](Cc2cnc[nH]2)NC(=O)CCCCCCCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:21.22,40.42,7.6,wD:11.11,(14.11,-13.67,;13.11,-12.52,;13.62,-11.08,;11.62,-12.8,;10.62,-11.65,;9.13,-11.93,;8.13,-10.78,;6.64,-11.06,;5.6,-9.87,;4.18,-9.13,;4.11,-7.53,;2.85,-9.99,;2.84,-8.38,;1.44,-7.58,;1.43,-5.97,;.03,-5.18,;-1.36,-5.99,;-1.33,-7.78,;.06,-8.4,;1.47,-10.67,;.04,-10.09,;-1.33,-9.3,;-2.1,-7.97,;-3.62,-7.97,;-4.53,-6.74,;-5.97,-7.21,;-5.97,-8.73,;-4.52,-9.2,;-2.59,-10.19,;-2.67,-11.73,;-4.47,-12.71,;-1.28,-12.48,;-1.28,-14.08,;.11,-14.88,;1.49,-14.07,;2.87,-14.87,;2.87,-16.48,;4.47,-17.01,;5.02,-15.59,;4.11,-14.39,;6.58,-15.28,;7.56,-16.44,;7.05,-17.88,;5.59,-18.3,;5.55,-19.83,;6.98,-20.34,;7.55,-21.74,;9.06,-21.95,;9.99,-20.74,;9.41,-19.34,;7.91,-19.14,;7.02,-13.81,;6.1,-12.57,;4.53,-12.87,)| Show InChI InChI=1S/C40H54N10O4/c41-40(42)44-19-11-16-33-38(53)50-34(21-28-23-45-32-15-10-9-14-31(28)32)36(51)17-7-2-1-3-8-18-37(52)48-30(22-29-24-43-26-47-29)25-46-35(39(54)49-33)20-27-12-5-4-6-13-27/h4-6,9-10,12-15,23-24,26,30,33-35,45-46H,1-3,7-8,11,16-22,25H2,(H,43,47)(H,48,52)(H,49,54)(H,50,53)(H4,41,42,44)/t30-,33-,34-,35-/m0/s1 | PDB
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| 319 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186370
(CHEMBL379627 | c(his-D-phe-arg-trp-Ahx))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:11.11,22.23,wD:40.42,7.6,(.29,-13.95,;1.12,-12.66,;.41,-11.3,;2.65,-12.73,;3.47,-11.44,;2.77,-10.08,;3.6,-8.8,;2.89,-7.42,;1.34,-6.07,;-.11,-7.87,;-.39,-9.37,;-1.55,-7.32,;-2.32,-8.66,;-3.85,-8.66,;-4.63,-10,;-6.16,-10,;-6.92,-8.68,;-6.16,-7.36,;-4.63,-7.36,;-1.93,-5.49,;-3.54,-5.03,;-4.98,-5.63,;-3.9,-3.54,;-5.44,-3.64,;-6.35,-2.39,;-7.88,-2.39,;-8.36,-.92,;-7.11,-.03,;-5.87,-.92,;-2.4,-2.19,;-3.11,-.61,;-4.37,.26,;-2.02,.48,;-.16,-.65,;.87,1.42,;1.85,-.18,;3.71,.36,;3.41,-1.72,;5.32,-2.22,;6.82,-1.87,;5.42,-3.75,;6.94,-3.91,;7.57,-5.32,;6.8,-6.65,;7.83,-7.8,;9.23,-7.17,;10.64,-7.8,;11.89,-6.89,;11.72,-5.35,;10.32,-4.73,;9.08,-5.63,;3.46,-4.56,;4.14,-6.49,;5.23,-7.58,)| Show InChI InChI=1S/C38H49N11O5/c39-38(40)43-17-9-14-29-35(52)49-31(19-25-21-44-28-13-7-6-12-27(25)28)34(51)42-16-8-2-5-15-33(50)46-32(20-26-22-41-23-45-26)37(54)48-30(36(53)47-29)18-24-10-3-1-4-11-24/h1,3-4,6-7,10-13,21-23,29-32,44H,2,5,8-9,14-20H2,(H,41,45)(H,42,51)(H,46,50)(H,47,53)(H,48,54)(H,49,52)(H4,39,40,43)/t29-,30+,31-,32+/m0/s1 | PDB
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| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186366
(CHEMBL211131 | c(his-L-phe-arg-trp-Aoc))Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C40H53N11O5/c41-40(42)45-19-11-16-31-37(54)51-33(21-27-23-46-30-15-9-8-14-29(27)30)36(53)44-18-10-3-1-2-7-17-35(52)48-34(22-28-24-43-25-47-28)39(56)50-32(38(55)49-31)20-26-12-5-4-6-13-26/h4-6,8-9,12-15,23-25,31-34,46H,1-3,7,10-11,16-22H2,(H,43,47)(H,44,53)(H,48,52)(H,49,55)(H,50,56)(H,51,54)(H4,41,42,45)/t31-,32-,33-,34+/m0/s1 | PDB
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| 4.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186368
(CHEMBL379531 | c(his-D-phe-arg-trp-Abu))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:11.11,22.23,wD:7.6,38.40,(-8.86,-41.12,;-7.56,-41.93,;-7.61,-43.48,;-6.2,-41.21,;-4.89,-42.02,;-3.53,-41.29,;-2.22,-42.11,;-.86,-41.38,;-.73,-39.86,;-2.17,-39.31,;-3.43,-40.18,;-2.17,-37.78,;-3.43,-36.9,;-4.82,-37.56,;-6.09,-36.68,;-7.48,-37.33,;-7.61,-38.87,;-6.33,-39.75,;-4.94,-39.09,;-.73,-37.24,;-.85,-35.72,;-2.2,-34.97,;.51,-35.02,;.66,-33.49,;-.59,-32.59,;-2.05,-33.09,;-2.97,-31.84,;-2.07,-30.59,;-.6,-31.06,;1.72,-35.99,;2.97,-35.05,;2.86,-33.51,;4.48,-35.94,;3.78,-37.34,;5.46,-38.93,;4.2,-39.96,;4.33,-41.47,;5.68,-42.21,;2.96,-42.17,;2.8,-43.7,;4.05,-44.6,;5.51,-44.12,;6.43,-45.35,;5.53,-46.61,;5.86,-48.1,;4.72,-49.13,;3.25,-48.67,;2.94,-47.16,;4.07,-46.14,;1.73,-41.19,;.5,-42.12,;.61,-43.66,)| Show InChI InChI=1S/C36H45N11O5/c37-36(38)41-15-6-12-27-33(50)47-29(17-23-19-42-26-11-5-4-10-25(23)26)32(49)40-14-7-13-31(48)44-30(18-24-20-39-21-43-24)35(52)46-28(34(51)45-27)16-22-8-2-1-3-9-22/h1-5,8-11,19-21,27-30,42H,6-7,12-18H2,(H,39,43)(H,40,49)(H,44,48)(H,45,51)(H,46,52)(H,47,50)(H4,37,38,41)/t27-,28+,29-,30+/m0/s1 | PDB
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| 5.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186370
(CHEMBL379627 | c(his-D-phe-arg-trp-Ahx))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:11.11,22.23,wD:40.42,7.6,(.29,-13.95,;1.12,-12.66,;.41,-11.3,;2.65,-12.73,;3.47,-11.44,;2.77,-10.08,;3.6,-8.8,;2.89,-7.42,;1.34,-6.07,;-.11,-7.87,;-.39,-9.37,;-1.55,-7.32,;-2.32,-8.66,;-3.85,-8.66,;-4.63,-10,;-6.16,-10,;-6.92,-8.68,;-6.16,-7.36,;-4.63,-7.36,;-1.93,-5.49,;-3.54,-5.03,;-4.98,-5.63,;-3.9,-3.54,;-5.44,-3.64,;-6.35,-2.39,;-7.88,-2.39,;-8.36,-.92,;-7.11,-.03,;-5.87,-.92,;-2.4,-2.19,;-3.11,-.61,;-4.37,.26,;-2.02,.48,;-.16,-.65,;.87,1.42,;1.85,-.18,;3.71,.36,;3.41,-1.72,;5.32,-2.22,;6.82,-1.87,;5.42,-3.75,;6.94,-3.91,;7.57,-5.32,;6.8,-6.65,;7.83,-7.8,;9.23,-7.17,;10.64,-7.8,;11.89,-6.89,;11.72,-5.35,;10.32,-4.73,;9.08,-5.63,;3.46,-4.56,;4.14,-6.49,;5.23,-7.58,)| Show InChI InChI=1S/C38H49N11O5/c39-38(40)43-17-9-14-29-35(52)49-31(19-25-21-44-28-13-7-6-12-27(25)28)34(51)42-16-8-2-5-15-33(50)46-32(20-26-22-41-23-45-26)37(54)48-30(36(53)47-29)18-24-10-3-1-4-11-24/h1,3-4,6-7,10-13,21-23,29-32,44H,2,5,8-9,14-20H2,(H,41,45)(H,42,51)(H,46,50)(H,47,53)(H,48,54)(H,49,52)(H4,39,40,43)/t29-,30+,31-,32+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC4R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186372
(CHEMBL380198 | c(his-D-phe-arg-trp-betaala))Show SMILES NC(N)=NCCCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)CCNC(=O)C(Cc2c[nH]c3ccccc23)NC1=O |(6.52,-19.81,;7.85,-20.58,;7.85,-22.12,;9.18,-19.81,;10.52,-20.59,;11.85,-19.82,;13.18,-20.59,;14.52,-19.82,;14.52,-18.25,;13.18,-17.48,;11.84,-18.24,;13.2,-16.03,;11.87,-15.25,;10.53,-16.01,;9.21,-15.22,;7.87,-15.98,;7.86,-17.52,;9.19,-18.3,;10.53,-17.54,;14.54,-15.26,;15.86,-16.03,;15.85,-17.57,;17.22,-15.27,;17.21,-13.73,;15.88,-12.96,;14.49,-13.59,;13.45,-12.45,;14.21,-11.11,;15.72,-11.43,;18.58,-16.03,;19.91,-15.25,;19.9,-13.71,;21.26,-16.01,;21.28,-17.48,;19.95,-18.25,;19.95,-19.82,;21.28,-20.59,;18.59,-20.6,;18.59,-22.14,;19.92,-22.91,;21.32,-22.29,;22.35,-23.43,;21.59,-24.77,;22.06,-26.22,;21.04,-27.36,;19.53,-27.05,;19.06,-25.59,;20.08,-24.45,;17.23,-19.82,;15.86,-20.6,;15.86,-22.14,)| Show InChI InChI=1S/C35H43N11O5/c36-35(37)40-13-6-11-26-32(49)46-28(16-22-18-41-25-10-5-4-9-24(22)25)31(48)39-14-12-30(47)43-29(17-23-19-38-20-42-23)34(51)45-27(33(50)44-26)15-21-7-2-1-3-8-21/h1-5,7-10,18-20,26-29,41H,6,11-17H2,(H,38,42)(H,39,48)(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,36,37,40) | PDB
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| n/a | n/a | n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC4R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186367
(CHEMBL379959 | c(his-D-phe-arg-trp-Ahp))Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C39H51N11O5/c40-39(41)44-18-10-15-30-36(53)50-32(20-26-22-45-29-14-8-7-13-28(26)29)35(52)43-17-9-2-1-6-16-34(51)47-33(21-27-23-42-24-46-27)38(55)49-31(37(54)48-30)19-25-11-4-3-5-12-25/h3-5,7-8,11-14,22-24,30-33,45H,1-2,6,9-10,15-21H2,(H,42,46)(H,43,52)(H,47,51)(H,48,54)(H,49,55)(H,50,53)(H4,40,41,44)/t30-,31+,32+,33+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 15.4 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC4R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186366
(CHEMBL211131 | c(his-L-phe-arg-trp-Aoc))Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C40H53N11O5/c41-40(42)45-19-11-16-31-37(54)51-33(21-27-23-46-30-15-9-8-14-29(27)30)36(53)44-18-10-3-1-2-7-17-35(52)48-34(22-28-24-43-25-47-28)39(56)50-32(38(55)49-31)20-26-12-5-4-6-13-26/h4-6,8-9,12-15,23-25,31-34,46H,1-3,7,10-11,16-22H2,(H,43,47)(H,44,53)(H,48,52)(H,49,55)(H,50,56)(H,51,54)(H4,41,42,45)/t31-,32-,33-,34+/m0/s1 | PDB
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UniProtKB/SwissProt
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| CHEMBL
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Similars
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PubMed
| n/a | n/a | n/a | n/a | 9.59E+3 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC4R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50186370
(CHEMBL379627 | c(his-D-phe-arg-trp-Ahx))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:11.11,22.23,wD:40.42,7.6,(.29,-13.95,;1.12,-12.66,;.41,-11.3,;2.65,-12.73,;3.47,-11.44,;2.77,-10.08,;3.6,-8.8,;2.89,-7.42,;1.34,-6.07,;-.11,-7.87,;-.39,-9.37,;-1.55,-7.32,;-2.32,-8.66,;-3.85,-8.66,;-4.63,-10,;-6.16,-10,;-6.92,-8.68,;-6.16,-7.36,;-4.63,-7.36,;-1.93,-5.49,;-3.54,-5.03,;-4.98,-5.63,;-3.9,-3.54,;-5.44,-3.64,;-6.35,-2.39,;-7.88,-2.39,;-8.36,-.92,;-7.11,-.03,;-5.87,-.92,;-2.4,-2.19,;-3.11,-.61,;-4.37,.26,;-2.02,.48,;-.16,-.65,;.87,1.42,;1.85,-.18,;3.71,.36,;3.41,-1.72,;5.32,-2.22,;6.82,-1.87,;5.42,-3.75,;6.94,-3.91,;7.57,-5.32,;6.8,-6.65,;7.83,-7.8,;9.23,-7.17,;10.64,-7.8,;11.89,-6.89,;11.72,-5.35,;10.32,-4.73,;9.08,-5.63,;3.46,-4.56,;4.14,-6.49,;5.23,-7.58,)| Show InChI InChI=1S/C38H49N11O5/c39-38(40)43-17-9-14-29-35(52)49-31(19-25-21-44-28-13-7-6-12-27(25)28)34(51)42-16-8-2-5-15-33(50)46-32(20-26-22-41-23-45-26)37(54)48-30(36(53)47-29)18-24-10-3-1-4-11-24/h1,3-4,6-7,10-13,21-23,29-32,44H,2,5,8-9,14-20H2,(H,41,45)(H,42,51)(H,46,50)(H,47,53)(H,48,54)(H,49,52)(H4,39,40,43)/t29-,30+,31-,32+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC1R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50186368
(CHEMBL379531 | c(his-D-phe-arg-trp-Abu))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:11.11,22.23,wD:7.6,38.40,(-8.86,-41.12,;-7.56,-41.93,;-7.61,-43.48,;-6.2,-41.21,;-4.89,-42.02,;-3.53,-41.29,;-2.22,-42.11,;-.86,-41.38,;-.73,-39.86,;-2.17,-39.31,;-3.43,-40.18,;-2.17,-37.78,;-3.43,-36.9,;-4.82,-37.56,;-6.09,-36.68,;-7.48,-37.33,;-7.61,-38.87,;-6.33,-39.75,;-4.94,-39.09,;-.73,-37.24,;-.85,-35.72,;-2.2,-34.97,;.51,-35.02,;.66,-33.49,;-.59,-32.59,;-2.05,-33.09,;-2.97,-31.84,;-2.07,-30.59,;-.6,-31.06,;1.72,-35.99,;2.97,-35.05,;2.86,-33.51,;4.48,-35.94,;3.78,-37.34,;5.46,-38.93,;4.2,-39.96,;4.33,-41.47,;5.68,-42.21,;2.96,-42.17,;2.8,-43.7,;4.05,-44.6,;5.51,-44.12,;6.43,-45.35,;5.53,-46.61,;5.86,-48.1,;4.72,-49.13,;3.25,-48.67,;2.94,-47.16,;4.07,-46.14,;1.73,-41.19,;.5,-42.12,;.61,-43.66,)| Show InChI InChI=1S/C36H45N11O5/c37-36(38)41-15-6-12-27-33(50)47-29(17-23-19-42-26-11-5-4-10-25(23)26)32(49)40-14-7-13-31(48)44-30(18-24-20-39-21-43-24)35(52)46-28(34(51)45-27)16-22-8-2-1-3-9-22/h1-5,8-11,19-21,27-30,42H,6-7,12-18H2,(H,39,43)(H,40,49)(H,44,48)(H,45,51)(H,46,52)(H,47,50)(H4,37,38,41)/t27-,28+,29-,30+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC1R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50186372
(CHEMBL380198 | c(his-D-phe-arg-trp-betaala))Show SMILES NC(N)=NCCCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)CCNC(=O)C(Cc2c[nH]c3ccccc23)NC1=O |(6.52,-19.81,;7.85,-20.58,;7.85,-22.12,;9.18,-19.81,;10.52,-20.59,;11.85,-19.82,;13.18,-20.59,;14.52,-19.82,;14.52,-18.25,;13.18,-17.48,;11.84,-18.24,;13.2,-16.03,;11.87,-15.25,;10.53,-16.01,;9.21,-15.22,;7.87,-15.98,;7.86,-17.52,;9.19,-18.3,;10.53,-17.54,;14.54,-15.26,;15.86,-16.03,;15.85,-17.57,;17.22,-15.27,;17.21,-13.73,;15.88,-12.96,;14.49,-13.59,;13.45,-12.45,;14.21,-11.11,;15.72,-11.43,;18.58,-16.03,;19.91,-15.25,;19.9,-13.71,;21.26,-16.01,;21.28,-17.48,;19.95,-18.25,;19.95,-19.82,;21.28,-20.59,;18.59,-20.6,;18.59,-22.14,;19.92,-22.91,;21.32,-22.29,;22.35,-23.43,;21.59,-24.77,;22.06,-26.22,;21.04,-27.36,;19.53,-27.05,;19.06,-25.59,;20.08,-24.45,;17.23,-19.82,;15.86,-20.6,;15.86,-22.14,)| Show InChI InChI=1S/C35H43N11O5/c36-35(37)40-13-6-11-26-32(49)46-28(16-22-18-41-25-10-5-4-9-24(22)25)31(48)39-14-12-30(47)43-29(17-23-19-38-20-42-23)34(51)45-27(33(50)44-26)15-21-7-2-1-3-8-21/h1-5,7-10,18-20,26-29,41H,6,11-17H2,(H,38,42)(H,39,48)(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,36,37,40) | PDB
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| n/a | n/a | n/a | n/a | 135 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC1R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50186367
(CHEMBL379959 | c(his-D-phe-arg-trp-Ahp))Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C39H51N11O5/c40-39(41)44-18-10-15-30-36(53)50-32(20-26-22-45-29-14-8-7-13-28(26)29)35(52)43-17-9-2-1-6-16-34(51)47-33(21-27-23-42-24-46-27)38(55)49-31(37(54)48-30)19-25-11-4-3-5-12-25/h3-5,7-8,11-14,22-24,30-33,45H,1-2,6,9-10,15-21H2,(H,42,46)(H,43,52)(H,47,51)(H,48,54)(H,49,55)(H,50,53)(H4,40,41,44)/t30-,31+,32+,33+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC1R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50186366
(CHEMBL211131 | c(his-L-phe-arg-trp-Aoc))Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O Show InChI InChI=1S/C40H53N11O5/c41-40(42)45-19-11-16-31-37(54)51-33(21-27-23-46-30-15-9-8-14-29(27)30)36(53)44-18-10-3-1-2-7-17-35(52)48-34(22-28-24-43-25-47-28)39(56)50-32(38(55)49-31)20-26-12-5-4-6-13-26/h4-6,8-9,12-15,23-25,31-34,46H,1-3,7,10-11,16-22H2,(H,43,47)(H,44,53)(H,48,52)(H,49,55)(H,50,56)(H,51,54)(H4,41,42,45)/t31-,32-,33-,34+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC1R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC1R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186371
(CHEMBL264120 | c(his-D-phe-arg-trp-Aoc))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC[C@H](Cc2cnc[nH]2)NC(=O)CCCCCCCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:21.22,40.42,7.6,wD:11.11,(14.11,-13.67,;13.11,-12.52,;13.62,-11.08,;11.62,-12.8,;10.62,-11.65,;9.13,-11.93,;8.13,-10.78,;6.64,-11.06,;5.6,-9.87,;4.18,-9.13,;4.11,-7.53,;2.85,-9.99,;2.84,-8.38,;1.44,-7.58,;1.43,-5.97,;.03,-5.18,;-1.36,-5.99,;-1.33,-7.78,;.06,-8.4,;1.47,-10.67,;.04,-10.09,;-1.33,-9.3,;-2.1,-7.97,;-3.62,-7.97,;-4.53,-6.74,;-5.97,-7.21,;-5.97,-8.73,;-4.52,-9.2,;-2.59,-10.19,;-2.67,-11.73,;-4.47,-12.71,;-1.28,-12.48,;-1.28,-14.08,;.11,-14.88,;1.49,-14.07,;2.87,-14.87,;2.87,-16.48,;4.47,-17.01,;5.02,-15.59,;4.11,-14.39,;6.58,-15.28,;7.56,-16.44,;7.05,-17.88,;5.59,-18.3,;5.55,-19.83,;6.98,-20.34,;7.55,-21.74,;9.06,-21.95,;9.99,-20.74,;9.41,-19.34,;7.91,-19.14,;7.02,-13.81,;6.1,-12.57,;4.53,-12.87,)| Show InChI InChI=1S/C40H54N10O4/c41-40(42)44-19-11-16-33-38(53)50-34(21-28-23-45-32-15-10-9-14-31(28)32)36(51)17-7-2-1-3-8-18-37(52)48-30(22-29-24-43-26-47-29)25-46-35(39(54)49-33)20-27-12-5-4-6-13-27/h4-6,9-10,12-15,23-24,26,30,33-35,45-46H,1-3,7-8,11,16-22,25H2,(H,43,47)(H,48,52)(H,49,54)(H,50,53)(H4,41,42,44)/t30-,33-,34-,35-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 16.4 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC4R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186369
(CHEMBL210399 | c(his-D-phe-arg-trp-Ava))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:11.11,22.23,wD:7.6,39.41,(2.76,-12.78,;4.16,-12.13,;4.28,-10.59,;5.42,-13,;6.81,-12.35,;8.08,-13.22,;7.95,-14.76,;9.22,-15.63,;10.66,-15.1,;10.53,-13.57,;9.19,-12.82,;11.9,-12.88,;12.05,-11.34,;10.8,-10.45,;10.96,-8.91,;9.71,-8.01,;8.3,-8.65,;8.15,-10.19,;9.41,-11.08,;13.12,-13.84,;14.37,-12.9,;14.26,-11.37,;15.74,-13.65,;17.1,-12.92,;17.15,-11.38,;15.94,-10.44,;16.46,-8.99,;18,-9.03,;18.43,-10.52,;15.61,-15.17,;17.06,-15.73,;18.33,-14.86,;17.06,-17.26,;15.61,-17.82,;15.74,-19.34,;14.36,-20.04,;13.13,-19.07,;11.89,-19.99,;12,-21.53,;10.52,-19.26,;9.17,-19.98,;9.12,-21.52,;10.33,-22.46,;9.81,-23.91,;8.27,-23.87,;7.21,-24.97,;5.72,-24.61,;5.29,-23.13,;6.36,-22.02,;7.85,-22.39,;10.66,-17.73,;9.22,-17.17,;7.95,-18.03,)| Show InChI InChI=1S/C37H47N11O5/c38-37(39)42-16-8-13-28-34(51)48-30(18-24-20-43-27-12-5-4-11-26(24)27)33(50)41-15-7-6-14-32(49)45-31(19-25-21-40-22-44-25)36(53)47-29(35(52)46-28)17-23-9-2-1-3-10-23/h1-5,9-12,20-22,28-31,43H,6-8,13-19H2,(H,40,44)(H,41,50)(H,45,49)(H,46,52)(H,47,53)(H,48,51)(H4,38,39,42)/t28-,29+,30-,31+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC4R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50186371
(CHEMBL264120 | c(his-D-phe-arg-trp-Aoc))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC[C@H](Cc2cnc[nH]2)NC(=O)CCCCCCCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:21.22,40.42,7.6,wD:11.11,(14.11,-13.67,;13.11,-12.52,;13.62,-11.08,;11.62,-12.8,;10.62,-11.65,;9.13,-11.93,;8.13,-10.78,;6.64,-11.06,;5.6,-9.87,;4.18,-9.13,;4.11,-7.53,;2.85,-9.99,;2.84,-8.38,;1.44,-7.58,;1.43,-5.97,;.03,-5.18,;-1.36,-5.99,;-1.33,-7.78,;.06,-8.4,;1.47,-10.67,;.04,-10.09,;-1.33,-9.3,;-2.1,-7.97,;-3.62,-7.97,;-4.53,-6.74,;-5.97,-7.21,;-5.97,-8.73,;-4.52,-9.2,;-2.59,-10.19,;-2.67,-11.73,;-4.47,-12.71,;-1.28,-12.48,;-1.28,-14.08,;.11,-14.88,;1.49,-14.07,;2.87,-14.87,;2.87,-16.48,;4.47,-17.01,;5.02,-15.59,;4.11,-14.39,;6.58,-15.28,;7.56,-16.44,;7.05,-17.88,;5.59,-18.3,;5.55,-19.83,;6.98,-20.34,;7.55,-21.74,;9.06,-21.95,;9.99,-20.74,;9.41,-19.34,;7.91,-19.14,;7.02,-13.81,;6.1,-12.57,;4.53,-12.87,)| Show InChI InChI=1S/C40H54N10O4/c41-40(42)44-19-11-16-33-38(53)50-34(21-28-23-45-32-15-10-9-14-31(28)32)36(51)17-7-2-1-3-8-18-37(52)48-30(22-29-24-43-26-47-29)25-46-35(39(54)49-33)20-27-12-5-4-6-13-27/h4-6,9-10,12-15,23-24,26,30,33-35,45-46H,1-3,7-8,11,16-22,25H2,(H,43,47)(H,48,52)(H,49,54)(H,50,53)(H4,41,42,44)/t30-,33-,34-,35-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 77.4 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC1R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50186368
(CHEMBL379531 | c(his-D-phe-arg-trp-Abu))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:11.11,22.23,wD:7.6,38.40,(-8.86,-41.12,;-7.56,-41.93,;-7.61,-43.48,;-6.2,-41.21,;-4.89,-42.02,;-3.53,-41.29,;-2.22,-42.11,;-.86,-41.38,;-.73,-39.86,;-2.17,-39.31,;-3.43,-40.18,;-2.17,-37.78,;-3.43,-36.9,;-4.82,-37.56,;-6.09,-36.68,;-7.48,-37.33,;-7.61,-38.87,;-6.33,-39.75,;-4.94,-39.09,;-.73,-37.24,;-.85,-35.72,;-2.2,-34.97,;.51,-35.02,;.66,-33.49,;-.59,-32.59,;-2.05,-33.09,;-2.97,-31.84,;-2.07,-30.59,;-.6,-31.06,;1.72,-35.99,;2.97,-35.05,;2.86,-33.51,;4.48,-35.94,;3.78,-37.34,;5.46,-38.93,;4.2,-39.96,;4.33,-41.47,;5.68,-42.21,;2.96,-42.17,;2.8,-43.7,;4.05,-44.6,;5.51,-44.12,;6.43,-45.35,;5.53,-46.61,;5.86,-48.1,;4.72,-49.13,;3.25,-48.67,;2.94,-47.16,;4.07,-46.14,;1.73,-41.19,;.5,-42.12,;.61,-43.66,)| Show InChI InChI=1S/C36H45N11O5/c37-36(38)41-15-6-12-27-33(50)47-29(17-23-19-42-26-11-5-4-10-25(23)26)32(49)40-14-7-13-31(48)44-30(18-24-20-39-21-43-24)35(52)46-28(34(51)45-27)16-22-8-2-1-3-9-22/h1-5,8-11,19-21,27-30,42H,6-7,12-18H2,(H,39,43)(H,40,49)(H,44,48)(H,45,51)(H,46,52)(H,47,50)(H4,37,38,41)/t27-,28+,29-,30+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC4R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50186369
(CHEMBL210399 | c(his-D-phe-arg-trp-Ava))Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |wU:11.11,22.23,wD:7.6,39.41,(2.76,-12.78,;4.16,-12.13,;4.28,-10.59,;5.42,-13,;6.81,-12.35,;8.08,-13.22,;7.95,-14.76,;9.22,-15.63,;10.66,-15.1,;10.53,-13.57,;9.19,-12.82,;11.9,-12.88,;12.05,-11.34,;10.8,-10.45,;10.96,-8.91,;9.71,-8.01,;8.3,-8.65,;8.15,-10.19,;9.41,-11.08,;13.12,-13.84,;14.37,-12.9,;14.26,-11.37,;15.74,-13.65,;17.1,-12.92,;17.15,-11.38,;15.94,-10.44,;16.46,-8.99,;18,-9.03,;18.43,-10.52,;15.61,-15.17,;17.06,-15.73,;18.33,-14.86,;17.06,-17.26,;15.61,-17.82,;15.74,-19.34,;14.36,-20.04,;13.13,-19.07,;11.89,-19.99,;12,-21.53,;10.52,-19.26,;9.17,-19.98,;9.12,-21.52,;10.33,-22.46,;9.81,-23.91,;8.27,-23.87,;7.21,-24.97,;5.72,-24.61,;5.29,-23.13,;6.36,-22.02,;7.85,-22.39,;10.66,-17.73,;9.22,-17.17,;7.95,-18.03,)| Show InChI InChI=1S/C37H47N11O5/c38-37(39)42-16-8-13-28-34(51)48-30(18-24-20-43-27-12-5-4-11-26(24)27)33(50)41-15-7-6-14-32(49)45-31(19-25-21-40-22-44-25)36(53)47-29(35(52)46-28)17-23-9-2-1-3-10-23/h1-5,9-12,20-22,28-31,43H,6-8,13-19H2,(H,40,44)(H,41,50)(H,45,49)(H,46,52)(H,47,53)(H,48,51)(H4,38,39,42)/t28-,29+,30-,31+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC1R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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CHEMBL
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PubMed
| n/a | n/a | n/a | n/a | 72.9 | n/a | n/a | n/a | n/a |
Asahi Kasei Pharma Corporation
Curated by ChEMBL
| Assay Description
Activity at human MC4R by cAMP accumulation in SaoS2 cells |
Bioorg Med Chem Lett 16: 3723-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.050
BindingDB Entry DOI: 10.7270/Q2N58N5C |
More data for this
Ligand-Target Pair | |
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