Found 5 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 |
|---|
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354719
(CHEMBL1834391)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)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](CCCN=C(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 |r,wU:26.27,8.10,4.4,74.76,92.96,108.113,wD:14.23,33.33,42.42,52.53,63.65,104.110,(10.67,7.94,;10.68,6.4,;9.35,5.63,;9.35,4.09,;8.01,3.31,;6.68,4.09,;5.35,3.31,;5.35,1.78,;4.01,4.09,;4.01,5.63,;5.35,6.4,;2.68,3.31,;1.35,4.09,;1.35,5.63,;.01,3.31,;.01,1.78,;1.35,1,;2.67,1.77,;4,1.01,;4,-.54,;5.33,-1.31,;2.67,-1.31,;1.35,-.53,;-1.32,4.09,;-2.66,3.31,;-2.66,1.78,;-3.99,4.09,;-5.32,3.31,;-3.99,5.63,;-5.32,6.4,;8.01,1.78,;6.68,1,;9.35,1,;9.35,-.53,;8.01,-1.31,;8.01,-2.84,;6.68,-3.62,;5.35,-2.84,;6.68,-5.15,;10.68,-1.31,;12.02,-.53,;10.68,-2.84,;12.02,-3.62,;12.02,-5.15,;10.68,-5.93,;10.52,-7.46,;9.02,-7.78,;8.25,-6.45,;9.28,-5.3,;13.35,-2.84,;13.35,-1.31,;14.68,-3.62,;16.02,-2.84,;16.02,-1.31,;17.36,-.53,;18.68,-1.3,;20.02,-.53,;20.02,1,;18.68,1.78,;17.36,1,;17.36,-3.62,;17.36,-5.15,;18.69,-2.84,;20.02,-3.62,;20.02,-5.15,;21.35,-5.93,;21.35,-7.46,;22.69,-8.24,;22.69,-9.77,;21.35,-10.55,;24.02,-10.55,;21.35,-2.84,;21.35,-1.31,;22.69,-3.62,;24.02,-2.84,;24.02,-1.31,;25.36,-.53,;26.76,-1.16,;27.79,-.02,;27.03,1.32,;27.5,2.78,;26.48,3.93,;24.97,3.61,;24.49,2.15,;25.52,1,;25.36,-3.62,;25.36,-5.15,;26.7,-2.84,;28.03,-3.62,;29.36,-2.84,;29.36,-1.31,;30.69,-3.62,;32.03,-2.84,;32.03,-1.31,;30.69,-.53,;30.69,1,;32.03,1.78,;32.03,3.31,;33.37,-3.62,;34.7,-2.84,;33.37,-5.15,;32.11,-6.07,;32.59,-7.53,;34.13,-7.53,;34.61,-6.06,;35.91,-5.24,;35.92,-3.7,;37.24,-6.01,;38.58,-5.25,;38.58,-3.72,;39.92,-2.96,;37.26,-2.94,;39.9,-6.04,;39.89,-7.58,;41.24,-5.28,)| Show InChI InChI=1S/C76H109N21O18/c1-4-5-18-51(89-73(113)59(40-99)95-71(111)55(91-65(105)49(78)39-98)33-44-23-25-47(100)26-24-44)67(107)90-53(27-28-62(102)103)69(109)94-58(35-46-37-82-41-86-46)72(112)92-56(32-43-15-7-6-8-16-43)70(110)88-52(21-13-30-83-76(80)81)68(108)93-57(34-45-36-84-50-19-10-9-17-48(45)50)66(106)85-38-61(101)87-54(20-11-12-29-77)75(115)97-31-14-22-60(97)74(114)96-63(42(2)3)64(79)104/h6-10,15-17,19,23-26,36-37,41-42,49,51-60,63,84,98-100H,4-5,11-14,18,20-22,27-35,38-40,77-78H2,1-3H3,(H2,79,104)(H,82,86)(H,85,106)(H,87,101)(H,88,110)(H,89,113)(H,90,107)(H,91,105)(H,92,112)(H,93,108)(H,94,109)(H,95,111)(H,96,114)(H,102,103)(H4,80,81,83)/t49-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,63-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354718
(CHEMBL1834392)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCN=[N+]=[N-])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](CCCN=C(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 |r,wU:26.29,8.10,4.4,83.85,101.105,117.122,wD:14.23,42.42,51.51,61.62,72.74,113.119,(18.25,-8.83,;18.25,-10.37,;16.92,-11.14,;16.92,-12.68,;15.59,-13.46,;14.26,-12.68,;12.92,-13.46,;12.92,-14.99,;11.58,-12.68,;11.58,-11.14,;12.92,-10.37,;10.25,-13.46,;8.92,-12.68,;8.92,-11.14,;7.58,-13.46,;7.58,-14.99,;8.92,-15.77,;10.25,-15,;11.57,-15.76,;11.57,-17.31,;12.9,-18.08,;10.24,-18.08,;8.92,-17.3,;6.25,-12.68,;4.91,-13.46,;4.91,-14.99,;3.58,-12.68,;3.58,-11.14,;2.25,-10.37,;2.25,-13.46,;.91,-12.69,;-.41,-13.46,;-1.75,-12.7,;-3.08,-13.47,;-4.4,-12.71,;-5.73,-13.48,;-7.06,-12.72,;-8.6,-12.71,;-10.14,-12.7,;15.59,-14.99,;14.26,-15.77,;16.92,-15.77,;16.92,-17.3,;15.59,-18.08,;15.59,-19.61,;14.26,-20.39,;12.92,-19.61,;14.26,-21.93,;18.25,-18.08,;19.59,-17.3,;18.25,-19.61,;19.59,-20.39,;19.59,-21.93,;18.25,-22.7,;18.1,-24.23,;16.59,-24.55,;15.82,-23.22,;16.86,-22.07,;20.93,-19.61,;20.93,-18.08,;22.26,-20.39,;23.59,-19.61,;23.59,-18.08,;24.93,-17.3,;26.26,-18.08,;27.59,-17.3,;27.59,-15.77,;26.26,-14.99,;24.93,-15.77,;24.93,-20.39,;24.93,-21.93,;26.27,-19.61,;27.6,-20.39,;27.6,-21.93,;28.93,-22.7,;28.93,-24.24,;30.27,-25.01,;30.27,-26.55,;28.93,-27.33,;31.6,-27.33,;28.93,-19.61,;28.93,-18.08,;30.27,-20.39,;31.6,-19.61,;31.6,-18.08,;32.94,-17.3,;34.34,-17.93,;35.38,-16.79,;34.61,-15.45,;35.09,-13.99,;34.06,-12.84,;32.55,-13.16,;32.07,-14.62,;33.1,-15.77,;32.94,-20.39,;32.94,-21.93,;34.28,-19.61,;35.61,-20.39,;36.94,-19.61,;36.94,-18.08,;38.28,-20.39,;39.61,-19.61,;39.61,-18.08,;38.28,-17.3,;38.28,-15.77,;39.61,-14.99,;39.61,-13.46,;40.95,-20.39,;42.28,-19.61,;40.95,-21.93,;39.7,-22.84,;40.17,-24.3,;41.71,-24.3,;42.2,-22.84,;43.49,-22.01,;43.5,-20.47,;44.82,-22.79,;46.16,-22.03,;46.17,-20.49,;47.51,-19.73,;44.84,-19.71,;47.49,-22.81,;47.47,-24.35,;48.83,-22.05,)| Show InChI InChI=1S/C82H120N24O18/c1-4-5-22-56(97-79(122)65(46-108)103-76(119)61(39-50-27-29-53(109)30-28-50)100-78(121)64(45-107)89-34-15-6-7-16-36-94-105-87)72(115)98-58(31-32-68(111)112)74(117)102-63(41-52-43-88-47-93-52)77(120)99-60(38-49-19-9-8-10-20-49)75(118)96-57(25-17-35-90-82(85)86)73(116)101-62(40-51-42-91-55-23-12-11-21-54(51)55)71(114)92-44-67(110)95-59(24-13-14-33-83)81(124)106-37-18-26-66(106)80(123)104-69(48(2)3)70(84)113/h8-12,19-21,23,27-30,42-43,47-48,56-66,69,89,91,107-109H,4-7,13-18,22,24-26,31-41,44-46,83H2,1-3H3,(H2,84,113)(H,88,93)(H,92,114)(H,95,110)(H,96,118)(H,97,122)(H,98,115)(H,99,120)(H,100,121)(H,101,116)(H,102,117)(H,103,119)(H,104,123)(H,111,112)(H4,85,86,90)/t56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,69-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354717
(CHEMBL1834393)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)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](CCCN=C(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 |r,wU:26.29,8.10,4.4,101.104,119.124,135.141,wD:14.23,60.61,69.70,79.81,90.93,131.138,(18.92,-28.29,;18.93,-29.83,;17.6,-30.6,;17.6,-32.14,;16.26,-32.92,;14.93,-32.14,;13.59,-32.92,;13.59,-34.45,;12.25,-32.14,;12.25,-30.6,;13.59,-29.83,;10.92,-32.92,;9.58,-32.14,;9.58,-30.6,;8.25,-32.92,;8.25,-34.45,;9.58,-35.23,;10.91,-34.46,;12.24,-35.22,;12.24,-36.77,;13.58,-37.54,;10.91,-37.54,;9.58,-36.76,;6.92,-32.14,;5.57,-32.92,;5.57,-34.45,;4.24,-32.14,;4.24,-30.6,;2.91,-29.83,;2.91,-32.92,;1.57,-32.15,;1.57,-30.61,;.24,-32.92,;-1.09,-32.16,;.38,-31.8,;.38,-30.27,;-1.12,-29.93,;-.04,-28.83,;-.45,-27.35,;-1.93,-26.96,;.64,-26.26,;-1.48,-28.45,;-3.03,-28.45,;-3.37,-29.93,;-4.47,-28.83,;-5.96,-29.23,;-7.04,-28.15,;-6.35,-30.72,;-4.84,-30.29,;-4.83,-31.81,;-3.32,-32.14,;-4.42,-33.23,;-4.03,-34.72,;-2.55,-35.12,;-5.12,-35.8,;-2.97,-33.65,;-1.43,-33.65,;16.26,-34.45,;14.93,-35.23,;17.6,-35.23,;17.6,-36.77,;16.26,-37.54,;16.26,-39.08,;14.93,-39.86,;13.59,-39.08,;14.93,-41.39,;18.93,-37.54,;20.27,-36.77,;18.93,-39.08,;20.27,-39.86,;20.27,-41.39,;18.93,-42.17,;18.77,-43.7,;17.27,-44.02,;16.5,-42.69,;17.53,-41.54,;21.6,-39.08,;21.6,-37.54,;22.94,-39.86,;24.27,-39.08,;24.27,-37.54,;25.61,-36.77,;26.94,-37.54,;28.28,-36.76,;28.28,-35.23,;26.94,-34.45,;25.61,-35.23,;25.61,-39.86,;25.61,-41.39,;26.95,-39.08,;28.28,-39.86,;28.28,-41.39,;29.62,-42.17,;29.62,-43.71,;30.96,-44.48,;30.96,-46.02,;29.62,-46.8,;32.29,-46.8,;29.62,-39.08,;29.62,-37.54,;30.96,-39.86,;32.29,-39.08,;32.29,-37.54,;33.63,-36.77,;35.03,-37.39,;36.07,-36.25,;35.3,-34.91,;35.78,-33.45,;34.75,-32.3,;33.24,-32.62,;32.76,-34.09,;33.79,-35.23,;33.63,-39.86,;33.63,-41.39,;34.97,-39.08,;36.3,-39.86,;37.63,-39.08,;37.63,-37.54,;38.97,-39.86,;40.3,-39.08,;40.3,-37.54,;38.97,-36.77,;38.97,-35.23,;40.3,-34.45,;40.3,-32.92,;41.64,-39.86,;42.98,-39.08,;41.64,-41.39,;40.39,-42.31,;40.87,-43.77,;42.41,-43.77,;42.89,-42.31,;44.19,-41.48,;44.2,-39.94,;45.52,-42.26,;46.86,-41.49,;46.87,-39.95,;48.21,-39.2,;45.54,-39.17,;48.19,-42.28,;48.17,-43.82,;49.53,-41.52,)| Show InChI InChI=1S/C92H135N25O25/c1-4-5-18-62(105-89(140)71(52-119)111-86(137)67(41-56-23-25-59(120)26-24-56)108-88(139)70(51-118)103-74(122)47-113-32-34-114(48-76(125)126)36-38-116(50-78(129)130)39-37-115(35-33-113)49-77(127)128)82(133)106-64(27-28-75(123)124)84(135)110-69(43-58-45-97-53-101-58)87(138)107-66(40-55-15-7-6-8-16-55)85(136)104-63(21-13-30-98-92(95)96)83(134)109-68(42-57-44-99-61-19-10-9-17-60(57)61)81(132)100-46-73(121)102-65(20-11-12-29-93)91(142)117-31-14-22-72(117)90(141)112-79(54(2)3)80(94)131/h6-10,15-17,19,23-26,44-45,53-54,62-72,79,99,118-120H,4-5,11-14,18,20-22,27-43,46-52,93H2,1-3H3,(H2,94,131)(H,97,101)(H,100,132)(H,102,121)(H,103,122)(H,104,136)(H,105,140)(H,106,133)(H,107,138)(H,108,139)(H,109,134)(H,110,135)(H,111,137)(H,112,141)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H4,95,96,98)/t62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,79-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354716
(CHEMBL1834394)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)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](CCCN=C(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 |r,wU:26.29,8.10,4.4,127.132,145.152,161.169,wD:14.23,86.89,95.98,105.109,116.121,157.166,(27.78,-6.77,;27.78,-8.31,;26.45,-9.09,;26.45,-10.63,;25.11,-11.4,;23.78,-10.63,;22.45,-11.4,;22.45,-12.94,;21.1,-10.63,;21.1,-9.09,;22.45,-8.31,;19.77,-11.4,;18.44,-10.63,;18.44,-9.09,;17.1,-11.4,;17.1,-12.94,;18.44,-13.72,;19.77,-12.95,;21.09,-13.71,;21.09,-15.26,;22.43,-16.03,;19.76,-16.03,;18.44,-15.25,;15.77,-10.63,;14.43,-11.4,;14.43,-12.94,;13.09,-10.63,;13.09,-9.09,;11.76,-8.31,;11.76,-11.4,;10.42,-10.64,;9.1,-11.41,;7.76,-10.65,;6.43,-11.42,;5.1,-10.66,;3.77,-11.43,;2.44,-10.66,;2.27,-9.13,;.77,-8.81,;.14,-10.04,;1.04,-11.29,;.79,-12.81,;-.44,-13.71,;-1.97,-13.47,;-2.87,-12.23,;-2.63,-10.7,;-1.38,-9.8,;-.62,-8.46,;-2.72,-9.02,;-4.05,-9.78,;-2.71,-7.48,;-4.03,-6.7,;-4.02,-5.16,;-5.35,-4.39,;-5.34,-2.85,;-6.67,-2.07,;-6.66,-.53,;-7.98,.24,;-5.32,.23,;-5.31,1.76,;-4.02,.95,;-2.93,2.02,;-3.73,3.34,;-2.18,3.32,;-1.4,4.64,;-2.16,5.98,;.14,4.63,;-2.91,4.63,;-3.98,5.73,;-5.29,4.95,;-5.27,6.5,;-6.59,7.29,;-6.56,8.84,;-7.93,6.54,;-6.57,5.76,;-7.66,4.69,;-6.84,3.37,;-8.39,3.41,;-9.18,2.09,;-10.72,2.13,;-8.44,.75,;-7.68,2.07,;-6.62,.97,;25.11,-12.94,;23.78,-13.72,;26.45,-13.72,;26.45,-15.25,;25.11,-16.03,;25.11,-17.57,;23.78,-18.34,;22.45,-17.57,;23.78,-19.88,;27.78,-16.03,;29.12,-15.25,;27.78,-17.57,;29.12,-18.34,;29.12,-19.88,;27.78,-20.66,;27.63,-22.19,;26.12,-22.51,;25.35,-21.18,;26.38,-20.03,;30.46,-17.57,;30.46,-16.03,;31.79,-18.34,;33.13,-17.57,;33.13,-16.03,;34.47,-15.25,;35.8,-16.03,;37.13,-15.25,;37.13,-13.72,;35.8,-12.94,;34.47,-13.72,;34.47,-18.34,;34.47,-19.88,;35.8,-17.57,;37.14,-18.34,;37.14,-19.88,;38.47,-20.66,;38.47,-22.2,;39.81,-22.97,;39.81,-24.51,;38.47,-25.29,;41.15,-25.29,;38.47,-17.57,;38.47,-16.03,;39.81,-18.34,;41.15,-17.57,;41.15,-16.03,;42.48,-15.25,;43.89,-15.88,;44.92,-14.74,;44.15,-13.4,;44.63,-11.94,;43.6,-10.79,;42.1,-11.11,;41.61,-12.57,;42.65,-13.72,;42.48,-18.34,;42.48,-19.88,;43.82,-17.57,;45.16,-18.34,;46.49,-17.57,;46.49,-16.03,;47.82,-18.34,;49.16,-17.57,;49.16,-16.03,;47.82,-15.25,;47.82,-13.72,;49.16,-12.94,;49.16,-11.4,;50.5,-18.34,;51.83,-17.57,;50.5,-19.88,;49.25,-20.8,;49.72,-22.26,;51.26,-22.26,;51.75,-20.79,;53.04,-19.97,;53.06,-18.42,;54.38,-20.74,;55.72,-19.98,;55.72,-18.44,;57.07,-17.69,;54.4,-17.66,;57.04,-20.77,;57.03,-22.31,;58.39,-20.01,)| Show InChI InChI=1S/C111H167FN30O26/c1-4-5-27-77(127-106(165)86(67-144)133-103(162)82(56-71-33-35-74(145)36-34-71)130-105(164)85(66-143)118-41-18-6-7-21-46-142-87-31-12-9-16-39-111(112,96(87)135-136-142)109(168)120-43-20-19-42-119-90(147)62-137-47-49-138(63-92(150)151)51-53-140(65-94(154)155)54-52-139(50-48-137)64-93(152)153)99(158)128-79(37-38-91(148)149)101(160)132-84(58-73-60-117-68-124-73)104(163)129-81(55-70-24-10-8-11-25-70)102(161)126-78(30-22-44-121-110(115)116)100(159)131-83(57-72-59-122-76-28-14-13-26-75(72)76)98(157)123-61-89(146)125-80(29-15-17-40-113)108(167)141-45-23-32-88(141)107(166)134-95(69(2)3)97(114)156/h8,10-11,13-14,24-26,28,33-36,59-60,68-69,77-86,88,95,118,122,143-145H,4-7,9,12,15-23,27,29-32,37-58,61-67,113H2,1-3H3,(H2,114,156)(H,117,124)(H,119,147)(H,120,168)(H,123,157)(H,125,146)(H,126,161)(H,127,165)(H,128,158)(H,129,163)(H,130,164)(H,131,159)(H,132,160)(H,133,162)(H,134,166)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H4,115,116,121)/t77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,88-,95-,111?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50354715
(CHEMBL1834395)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1)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](CCCN=C(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 |r,wU:26.29,8.10,4.4,120.125,138.145,154.162,wD:14.23,79.82,88.91,98.102,109.114,150.159,(30.34,-37.71,;30.34,-39.25,;29.01,-40.02,;29.01,-41.56,;27.68,-42.34,;26.34,-41.56,;25.01,-42.34,;25.01,-43.87,;23.67,-41.56,;23.67,-40.02,;25.01,-39.25,;22.33,-42.34,;21,-41.56,;21,-40.02,;19.66,-42.34,;19.66,-43.87,;21,-44.65,;22.33,-43.88,;23.66,-44.65,;23.66,-46.19,;24.99,-46.96,;22.32,-46.96,;21,-46.18,;18.33,-41.56,;16.99,-42.34,;16.99,-43.87,;15.66,-41.56,;15.66,-40.02,;14.32,-39.25,;14.32,-42.34,;12.99,-41.57,;11.66,-42.35,;10.32,-41.58,;9,-42.35,;7.67,-41.59,;6.34,-42.36,;5,-41.6,;4.83,-40.06,;3.33,-39.75,;2.7,-40.98,;3.6,-42.22,;3.36,-43.75,;2.12,-44.64,;.6,-44.4,;-.31,-43.16,;-.07,-41.64,;1.18,-40.73,;1.94,-39.4,;-.16,-39.95,;-1.49,-40.71,;-.15,-38.41,;-1.47,-37.63,;-1.46,-36.1,;-2.79,-35.32,;-2.78,-33.78,;-4.1,-33,;-4.09,-31.47,;-5.42,-30.69,;-2.76,-30.71,;-2.74,-29.17,;-1.3,-28.62,;-.56,-27.29,;-.86,-25.78,;.46,-24.99,;1.81,-25.73,;3.12,-24.93,;1.84,-27.27,;-2.04,-24.82,;-3.58,-24.85,;-4.74,-25.85,;-6.09,-25.1,;-7.41,-25.89,;-8.75,-25.14,;-7.38,-27.43,;-4.98,-27.36,;-4.19,-28.68,;27.68,-43.87,;26.34,-44.65,;29.01,-44.65,;29.01,-46.19,;27.68,-46.96,;27.68,-48.5,;26.34,-49.28,;25.01,-48.5,;26.34,-50.81,;30.34,-46.96,;31.69,-46.19,;30.34,-48.5,;31.69,-49.28,;31.69,-50.81,;30.34,-51.59,;30.19,-53.12,;28.68,-53.45,;27.91,-52.11,;28.94,-50.96,;33.02,-48.5,;33.02,-46.96,;34.35,-49.28,;35.69,-48.5,;35.69,-46.96,;37.03,-46.19,;38.36,-46.96,;39.69,-46.19,;39.69,-44.65,;38.36,-43.87,;37.03,-44.65,;37.03,-49.28,;37.03,-50.81,;38.36,-48.5,;39.7,-49.28,;39.7,-50.81,;41.03,-51.59,;41.03,-53.13,;42.37,-53.91,;42.37,-55.44,;41.03,-56.22,;43.71,-56.22,;41.03,-48.5,;41.03,-46.96,;42.37,-49.28,;43.71,-48.5,;43.71,-46.96,;45.04,-46.19,;46.45,-46.81,;47.48,-45.67,;46.71,-44.33,;47.19,-42.87,;46.17,-41.72,;44.66,-42.04,;44.17,-43.51,;45.21,-44.65,;45.04,-49.28,;45.04,-50.81,;46.38,-48.5,;47.72,-49.28,;49.05,-48.5,;49.05,-46.96,;50.39,-49.28,;51.72,-48.5,;51.72,-46.96,;50.39,-46.19,;50.39,-44.65,;51.72,-43.87,;51.72,-42.34,;53.06,-49.28,;54.4,-48.5,;53.06,-50.81,;51.81,-51.73,;52.28,-53.19,;53.83,-53.19,;54.31,-51.73,;55.6,-50.9,;55.62,-49.36,;56.94,-51.68,;58.28,-50.92,;58.29,-49.38,;59.63,-48.62,;56.96,-48.59,;59.61,-51.7,;59.59,-53.25,;60.95,-50.94,)| Show InChI InChI=1S/C107H160FN29O24/c1-4-5-27-74(123-102(158)83(64-139)129-99(155)79(54-68-33-35-71(140)36-34-68)126-101(157)82(63-138)114-41-18-6-7-21-46-137-84-31-12-9-16-39-107(108,92(84)131-132-137)105(161)116-43-20-19-42-115-87(142)60-133-47-49-134(61-89(145)146)51-52-135(50-48-133)62-90(147)148)95(151)124-76(37-38-88(143)144)97(153)128-81(56-70-58-113-65-120-70)100(156)125-78(53-67-24-10-8-11-25-67)98(154)122-75(30-22-44-117-106(111)112)96(152)127-80(55-69-57-118-73-28-14-13-26-72(69)73)94(150)119-59-86(141)121-77(29-15-17-40-109)104(160)136-45-23-32-85(136)103(159)130-91(66(2)3)93(110)149/h8,10-11,13-14,24-26,28,33-36,57-58,65-66,74-83,85,91,114,118,138-140H,4-7,9,12,15-23,27,29-32,37-56,59-64,109H2,1-3H3,(H2,110,149)(H,113,120)(H,115,142)(H,116,161)(H,119,150)(H,121,141)(H,122,154)(H,123,158)(H,124,151)(H,125,156)(H,126,157)(H,127,152)(H,128,153)(H,129,155)(H,130,159)(H,143,144)(H,145,146)(H,147,148)(H4,111,112,117)/t74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,85-,91-,107?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting |
Bioorg Med Chem Lett 21: 5757-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ |
More data for this
Ligand-Target Pair | |
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