Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50389773' 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)) | BDBM50389773
(CHEMBL2070246)Show SMILES CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:70.70,120.129,109.112,98.101,80.133,31.30,37.36,wD:46.45,56.56,62.62,84.85,122.126,(11.68,.45,;10.14,.48,;9.34,-.84,;7.8,-.82,;7.01,-2.14,;5.47,-2.11,;4.72,-.76,;3.18,-.73,;2.44,.61,;.9,.64,;.15,1.99,;-1.39,2.01,;-2.13,3.36,;-3.67,3.39,;-4.42,4.74,;-5.96,4.76,;-6.71,6.1,;-6.75,3.44,;-8.3,3.48,;-9.64,4.25,;-8.3,5.02,;-9.09,2.15,;-10.63,2.18,;-11.43,.86,;-10.67,-.49,;-9.13,-.52,;-11.48,-1.81,;-10.72,-3.16,;-9.18,-3.18,;-8.39,-1.86,;-8.43,-4.53,;-6.89,-4.56,;-6.1,-3.23,;-4.56,-3.26,;-6.15,-5.9,;-4.6,-5.92,;-6.94,-7.22,;-6.19,-8.57,;-4.65,-8.6,;-3.85,-7.27,;-2.32,-7.3,;-1.57,-8.64,;-1.52,-5.98,;-6.98,-9.88,;-8.52,-9.86,;-6.23,-11.23,;-7.02,-12.55,;-8.56,-12.53,;-9.35,-13.85,;-8.75,-15.27,;-9.91,-16.28,;-11.25,-15.49,;-10.89,-13.99,;-6.27,-13.9,;-4.73,-13.92,;-7.06,-15.22,;-6.31,-16.57,;-7.1,-17.88,;-8.65,-17.86,;-4.77,-16.6,;-3.99,-15.27,;-4.03,-17.94,;-2.49,-17.96,;-1.74,-19.31,;-2.54,-20.63,;-1.79,-21.98,;-2.58,-23.3,;-1.7,-16.64,;-2.45,-15.3,;-.15,-16.67,;.63,-15.35,;.06,-13.92,;1.1,-12.29,;1.09,-3.98,;-0,-2.9,;23.07,-3.93,;23.04,-9.13,;21.7,-9.88,;21.67,-11.42,;20.33,-12.17,;20.31,-13.71,;18.96,-14.46,;17.64,-13.67,;17.66,-12.13,;16.3,-14.42,;16.27,-15.97,;17.59,-16.75,;19,-16.14,;20.02,-17.3,;19.23,-18.62,;19.69,-20.09,;18.64,-21.23,;17.14,-20.89,;16.69,-19.41,;17.73,-18.28,;14.97,-13.63,;13.63,-14.39,;13.6,-15.92,;12.3,-13.6,;12.32,-12.05,;13.67,-11.3,;13.7,-9.76,;15.03,-9.01,;15.06,-7.48,;13.74,-6.69,;16.4,-6.72,;10.96,-14.34,;9.63,-13.56,;9.66,-12.02,;8.29,-14.3,;8.27,-15.85,;9.59,-16.64,;10.94,-15.88,;12.26,-16.67,;12.23,-18.21,;10.89,-18.96,;9.57,-18.17,;6.97,-13.51,;5.63,-14.27,;5.6,-15.8,;4.31,-13.48,;4.41,-11.92,;2.77,-11.57,;2.09,-10.04,;1.92,-13.01,;3.03,-14.28,;2.16,-15.56,;2.83,-16.95,;21.63,-14.5,;22.97,-13.75,;21.6,-16.04,)| Show InChI InChI=1S/C87H134N22O21S/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-34-74(116)108-131(129,130)42-26-35-72(114)96-49-75(117)98-68(51-110)83(125)102-63(36-38-71(88)113)79(121)105-67(45-56-48-92-53-97-56)82(124)107-69(52-111)84(126)101-61(30-6-4-2)77(119)103-64-37-39-73(115)93-40-24-23-32-60(76(89)118)99-81(123)66(44-55-47-95-59-31-22-21-29-58(55)59)104-78(120)62(33-25-41-94-87(90)91)100-80(122)65(43-54-27-18-17-19-28-54)106-85(127)70-46-57(112)50-109(70)86(64)128/h17-19,21-22,27-29,31,47-48,53,57,60-70,95,110-112H,3-16,20,23-26,30,32-46,49-52H2,1-2H3,(H2,88,113)(H2,89,118)(H,92,97)(H,93,115)(H,96,114)(H,98,117)(H,99,123)(H,100,122)(H,101,126)(H,102,125)(H,103,119)(H,104,120)(H,105,121)(H,106,127)(H,107,124)(H,108,116)(H4,90,91,94)/t57-,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin |
J Med Chem 55: 1969-77 (2012)
Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50389773
(CHEMBL2070246)Show SMILES CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:70.70,120.129,109.112,98.101,80.133,31.30,37.36,wD:46.45,56.56,62.62,84.85,122.126,(11.68,.45,;10.14,.48,;9.34,-.84,;7.8,-.82,;7.01,-2.14,;5.47,-2.11,;4.72,-.76,;3.18,-.73,;2.44,.61,;.9,.64,;.15,1.99,;-1.39,2.01,;-2.13,3.36,;-3.67,3.39,;-4.42,4.74,;-5.96,4.76,;-6.71,6.1,;-6.75,3.44,;-8.3,3.48,;-9.64,4.25,;-8.3,5.02,;-9.09,2.15,;-10.63,2.18,;-11.43,.86,;-10.67,-.49,;-9.13,-.52,;-11.48,-1.81,;-10.72,-3.16,;-9.18,-3.18,;-8.39,-1.86,;-8.43,-4.53,;-6.89,-4.56,;-6.1,-3.23,;-4.56,-3.26,;-6.15,-5.9,;-4.6,-5.92,;-6.94,-7.22,;-6.19,-8.57,;-4.65,-8.6,;-3.85,-7.27,;-2.32,-7.3,;-1.57,-8.64,;-1.52,-5.98,;-6.98,-9.88,;-8.52,-9.86,;-6.23,-11.23,;-7.02,-12.55,;-8.56,-12.53,;-9.35,-13.85,;-8.75,-15.27,;-9.91,-16.28,;-11.25,-15.49,;-10.89,-13.99,;-6.27,-13.9,;-4.73,-13.92,;-7.06,-15.22,;-6.31,-16.57,;-7.1,-17.88,;-8.65,-17.86,;-4.77,-16.6,;-3.99,-15.27,;-4.03,-17.94,;-2.49,-17.96,;-1.74,-19.31,;-2.54,-20.63,;-1.79,-21.98,;-2.58,-23.3,;-1.7,-16.64,;-2.45,-15.3,;-.15,-16.67,;.63,-15.35,;.06,-13.92,;1.1,-12.29,;1.09,-3.98,;-0,-2.9,;23.07,-3.93,;23.04,-9.13,;21.7,-9.88,;21.67,-11.42,;20.33,-12.17,;20.31,-13.71,;18.96,-14.46,;17.64,-13.67,;17.66,-12.13,;16.3,-14.42,;16.27,-15.97,;17.59,-16.75,;19,-16.14,;20.02,-17.3,;19.23,-18.62,;19.69,-20.09,;18.64,-21.23,;17.14,-20.89,;16.69,-19.41,;17.73,-18.28,;14.97,-13.63,;13.63,-14.39,;13.6,-15.92,;12.3,-13.6,;12.32,-12.05,;13.67,-11.3,;13.7,-9.76,;15.03,-9.01,;15.06,-7.48,;13.74,-6.69,;16.4,-6.72,;10.96,-14.34,;9.63,-13.56,;9.66,-12.02,;8.29,-14.3,;8.27,-15.85,;9.59,-16.64,;10.94,-15.88,;12.26,-16.67,;12.23,-18.21,;10.89,-18.96,;9.57,-18.17,;6.97,-13.51,;5.63,-14.27,;5.6,-15.8,;4.31,-13.48,;4.41,-11.92,;2.77,-11.57,;2.09,-10.04,;1.92,-13.01,;3.03,-14.28,;2.16,-15.56,;2.83,-16.95,;21.63,-14.5,;22.97,-13.75,;21.6,-16.04,)| Show InChI InChI=1S/C87H134N22O21S/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-34-74(116)108-131(129,130)42-26-35-72(114)96-49-75(117)98-68(51-110)83(125)102-63(36-38-71(88)113)79(121)105-67(45-56-48-92-53-97-56)82(124)107-69(52-111)84(126)101-61(30-6-4-2)77(119)103-64-37-39-73(115)93-40-24-23-32-60(76(89)118)99-81(123)66(44-55-47-95-59-31-22-21-29-58(55)59)104-78(120)62(33-25-41-94-87(90)91)100-80(122)65(43-54-27-18-17-19-28-54)106-85(127)70-46-57(112)50-109(70)86(64)128/h17-19,21-22,27-29,31,47-48,53,57,60-70,95,110-112H,3-16,20,23-26,30,32-46,49-52H2,1-2H3,(H2,88,113)(H2,89,118)(H,92,97)(H,93,115)(H,96,114)(H,98,117)(H,99,123)(H,100,122)(H,101,126)(H,102,125)(H,103,119)(H,104,120)(H,105,121)(H,106,127)(H,107,124)(H,108,116)(H4,90,91,94)/t57-,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells assessed as induction of cMAP accumulation in presence of 0.1% human ser... |
J Med Chem 55: 1969-77 (2012)
Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P |
More data for this
Ligand-Target Pair | |
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