Found 55 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)) | BDBM50451759
(CHEMBL2371219)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,29.31,wD:40.42,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.37,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.36,;11.29,-10.85,;8.69,-11.41,;9.03,-12.9,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.64,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.97,-6.85,;17.22,-7.76,;16.74,-9.22,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.22,;14.09,-4.76,;13.76,-3.24,;15.55,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C38H48Cl2N12O6/c1-2-6-33(54)49-31(16-23-18-44-20-48-23)37(58)51-29(14-21-10-11-25(39)26(40)13-21)36(57)50-28(9-5-12-45-38(42)43)35(56)52-30(34(55)47-19-32(41)53)15-22-17-46-27-8-4-3-7-24(22)27/h3-4,7-8,10-11,13,17-18,20,28-31,46H,2,5-6,9,12,14-16,19H2,1H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t28-,29+,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124772
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,30.32,wD:41.43,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;7.22,-10.94,;8.69,-11.41,;9.83,-10.38,;11.29,-10.85,;11.61,-12.36,;13.07,-12.83,;9.5,-8.88,;8.05,-8.39,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124773
((S)-2-{(S)-3-(4-Bromo-phenyl)-2-[(S)-2-butyrylamin...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49BrN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50451761
(CHEMBL2371218)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.37,;11.27,-10.82,;11.62,-12.31,;10.5,-13.34,;9.04,-12.89,;8.69,-11.41,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50451762
(CHEMBL2112920)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:27.29,16.17,6.6,wD:38.40,(-6.26,-5.82,;-4.92,-5.06,;-3.6,-5.83,;-2.27,-5.06,;-2.27,-3.52,;-.93,-5.83,;.4,-5.06,;.4,-3.52,;1.74,-2.75,;3.13,-3.37,;4.16,-2.22,;3.39,-.89,;1.89,-1.21,;1.74,-5.83,;1.74,-7.37,;3.07,-5.06,;4.41,-5.83,;4.41,-7.37,;5.73,-8.14,;5.73,-9.68,;7.06,-10.44,;8.39,-9.68,;8.39,-8.13,;7.05,-7.36,;5.73,-5.06,;5.73,-3.52,;7.07,-5.83,;8.4,-5.06,;8.4,-3.52,;9.73,-2.75,;9.73,-1.21,;11.07,-.44,;11.07,1.1,;12.4,1.87,;9.73,1.87,;9.73,-5.83,;9.73,-7.37,;11.07,-5.06,;12.4,-5.83,;12.4,-7.37,;13.74,-8.14,;15.06,-7.37,;16.39,-8.13,;16.4,-9.69,;17.72,-10.46,;17.73,-11.99,;16.38,-12.77,;15.05,-11.99,;15.06,-10.45,;13.72,-9.68,;13.74,-5.06,;13.74,-3.52,;15.07,-5.83,;16.39,-5.06,;17.73,-5.82,;19.05,-5.05,;17.72,-7.35,)| Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31-,32+,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124775
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H52N12O7/c1-3-7-34(53)48-32(18-25-20-43-22-47-25)38(57)50-30(16-23-11-13-26(58-2)14-12-23)37(56)49-29(10-6-15-44-39(41)42)36(55)51-31(35(54)46-21-33(40)52)17-24-19-45-28-9-5-4-8-27(24)28/h4-5,8-9,11-14,19-20,22,29-32,45H,3,6-7,10,15-18,21H2,1-2H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124766
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124772
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,30.32,wD:41.43,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;7.22,-10.94,;8.69,-11.41,;9.83,-10.38,;11.29,-10.85,;11.61,-12.36,;13.07,-12.83,;9.5,-8.88,;8.05,-8.39,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124775
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H52N12O7/c1-3-7-34(53)48-32(18-25-20-43-22-47-25)38(57)50-30(16-23-11-13-26(58-2)14-12-23)37(56)49-29(10-6-15-44-39(41)42)36(55)51-31(35(54)46-21-33(40)52)17-24-19-45-28-9-5-4-8-27(24)28/h4-5,8-9,11-14,19-20,22,29-32,45H,3,6-7,10,15-18,21H2,1-2H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1 | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124770
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451759
(CHEMBL2371219)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,29.31,wD:40.42,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.37,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.36,;11.29,-10.85,;8.69,-11.41,;9.03,-12.9,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.64,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.97,-6.85,;17.22,-7.76,;16.74,-9.22,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.22,;14.09,-4.76,;13.76,-3.24,;15.55,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C38H48Cl2N12O6/c1-2-6-33(54)49-31(16-23-18-44-20-48-23)37(58)51-29(14-21-10-11-25(39)26(40)13-21)36(57)50-28(9-5-12-45-38(42)43)35(56)52-30(34(55)47-19-32(41)53)15-22-17-46-27-8-4-3-7-24(22)27/h3-4,7-8,10-11,13,17-18,20,28-31,46H,2,5-6,9,12,14-16,19H2,1H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t28-,29+,30-,31-/m0/s1 | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124773
((S)-2-{(S)-3-(4-Bromo-phenyl)-2-[(S)-2-butyrylamin...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49BrN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124766
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124779
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H49F3N12O6/c1-2-7-33(56)51-31(17-25-19-46-21-50-25)37(60)53-29(15-22-8-5-9-24(14-22)39(40,41)42)36(59)52-28(12-6-13-47-38(44)45)35(58)54-30(34(57)49-20-32(43)55)16-23-18-48-27-11-4-3-10-26(23)27/h3-5,8-11,14,18-19,21,28-31,48H,2,6-7,12-13,15-17,20H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50451760
(CHEMBL2371220)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.74,-13.45,;-.6,-12.41,;-.92,-10.91,;.22,-9.89,;1.68,-10.36,;-.11,-8.38,;1.03,-7.35,;.73,-5.85,;1.87,-4.82,;3.37,-5.14,;4.14,-3.8,;3.12,-2.66,;1.71,-3.29,;2.51,-7.82,;2.82,-9.33,;3.65,-6.79,;5.12,-7.27,;5.43,-8.78,;6.89,-9.26,;8.05,-8.22,;9.5,-8.7,;9.82,-10.2,;8.68,-11.24,;9.03,-12.73,;7.89,-13.78,;6.41,-13.31,;6.08,-11.8,;7.22,-10.76,;6.26,-6.24,;5.94,-4.73,;7.72,-6.72,;8.86,-5.68,;8.55,-4.17,;9.69,-3.15,;9.37,-1.65,;10.51,-.61,;10.19,.88,;11.34,1.92,;8.73,1.36,;10.33,-6.16,;10.64,-7.66,;11.48,-5.14,;12.93,-5.61,;13.26,-7.12,;14.73,-7.59,;15.97,-6.68,;17.21,-7.59,;16.73,-9.06,;17.5,-10.38,;16.73,-11.72,;15.2,-11.72,;14.43,-10.38,;15.2,-9.06,;14.08,-4.58,;13.76,-3.08,;15.55,-5.06,;16.69,-4.02,;18.15,-4.5,;19.29,-3.47,;18.47,-6.01,)| Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1 | PDB
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| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124770
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | 575 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124767
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,27.29,wD:38.40,(-4.03,-19.31,;-2.71,-18.54,;-2.71,-17,;-1.37,-16.23,;-.04,-17,;-1.37,-14.69,;-.04,-13.92,;-.04,-12.37,;1.31,-11.6,;2.71,-12.23,;3.74,-11.09,;2.97,-9.75,;1.45,-10.06,;1.31,-14.69,;1.31,-16.23,;2.64,-13.92,;3.97,-14.69,;3.97,-16.23,;5.32,-17.01,;6.65,-16.23,;7.98,-17.01,;7.98,-18.55,;6.65,-19.32,;5.32,-18.55,;5.32,-13.92,;5.32,-12.37,;6.65,-14.69,;7.98,-13.92,;7.98,-12.37,;9.31,-11.6,;9.31,-10.06,;10.66,-9.29,;10.66,-7.74,;12,-6.98,;9.31,-6.98,;9.31,-14.69,;9.31,-16.23,;10.66,-13.92,;12,-14.69,;12,-16.23,;13.32,-17.01,;14.67,-16.23,;16.01,-17.01,;16.01,-18.55,;14.68,-19.32,;14.68,-20.86,;13.35,-21.65,;12,-20.87,;11.99,-19.32,;13.32,-18.55,;13.32,-13.92,;13.32,-12.37,;14.67,-14.69,;16.01,-13.92,;17.34,-14.69,;18.67,-13.92,;17.34,-16.23,)| Show InChI InChI=1S/C40H51N11O6/c1-2-10-35(53)48-33(21-28-22-44-24-47-28)39(57)50-31(19-25-11-4-3-5-12-25)38(56)49-30(17-9-18-45-40(42)43)37(55)51-32(36(54)46-23-34(41)52)20-27-15-8-14-26-13-6-7-16-29(26)27/h3-8,11-16,22,24,30-33H,2,9-10,17-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
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KEGG
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Similars
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451762
(CHEMBL2112920)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:27.29,16.17,6.6,wD:38.40,(-6.26,-5.82,;-4.92,-5.06,;-3.6,-5.83,;-2.27,-5.06,;-2.27,-3.52,;-.93,-5.83,;.4,-5.06,;.4,-3.52,;1.74,-2.75,;3.13,-3.37,;4.16,-2.22,;3.39,-.89,;1.89,-1.21,;1.74,-5.83,;1.74,-7.37,;3.07,-5.06,;4.41,-5.83,;4.41,-7.37,;5.73,-8.14,;5.73,-9.68,;7.06,-10.44,;8.39,-9.68,;8.39,-8.13,;7.05,-7.36,;5.73,-5.06,;5.73,-3.52,;7.07,-5.83,;8.4,-5.06,;8.4,-3.52,;9.73,-2.75,;9.73,-1.21,;11.07,-.44,;11.07,1.1,;12.4,1.87,;9.73,1.87,;9.73,-5.83,;9.73,-7.37,;11.07,-5.06,;12.4,-5.83,;12.4,-7.37,;13.74,-8.14,;15.06,-7.37,;16.39,-8.13,;16.4,-9.69,;17.72,-10.46,;17.73,-11.99,;16.38,-12.77,;15.05,-11.99,;15.06,-10.45,;13.72,-9.68,;13.74,-5.06,;13.74,-3.52,;15.07,-5.83,;16.39,-5.06,;17.73,-5.82,;19.05,-5.05,;17.72,-7.35,)| Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31-,32+,33-/m0/s1 | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124768
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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](Cc1csc2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49N11O6S/c1-2-9-33(51)46-30(18-25-19-42-22-45-25)37(55)48-28(16-23-10-4-3-5-11-23)36(54)47-27(13-8-15-43-38(40)41)35(53)49-29(34(52)44-20-32(39)50)17-24-21-56-31-14-7-6-12-26(24)31/h3-7,10-12,14,19,21-22,27-30H,2,8-9,13,15-18,20H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124767
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,27.29,wD:38.40,(-4.03,-19.31,;-2.71,-18.54,;-2.71,-17,;-1.37,-16.23,;-.04,-17,;-1.37,-14.69,;-.04,-13.92,;-.04,-12.37,;1.31,-11.6,;2.71,-12.23,;3.74,-11.09,;2.97,-9.75,;1.45,-10.06,;1.31,-14.69,;1.31,-16.23,;2.64,-13.92,;3.97,-14.69,;3.97,-16.23,;5.32,-17.01,;6.65,-16.23,;7.98,-17.01,;7.98,-18.55,;6.65,-19.32,;5.32,-18.55,;5.32,-13.92,;5.32,-12.37,;6.65,-14.69,;7.98,-13.92,;7.98,-12.37,;9.31,-11.6,;9.31,-10.06,;10.66,-9.29,;10.66,-7.74,;12,-6.98,;9.31,-6.98,;9.31,-14.69,;9.31,-16.23,;10.66,-13.92,;12,-14.69,;12,-16.23,;13.32,-17.01,;14.67,-16.23,;16.01,-17.01,;16.01,-18.55,;14.68,-19.32,;14.68,-20.86,;13.35,-21.65,;12,-20.87,;11.99,-19.32,;13.32,-18.55,;13.32,-13.92,;13.32,-12.37,;14.67,-14.69,;16.01,-13.92,;17.34,-14.69,;18.67,-13.92,;17.34,-16.23,)| Show InChI InChI=1S/C40H51N11O6/c1-2-10-35(53)48-33(21-28-22-44-24-47-28)39(57)50-31(19-25-11-4-3-5-12-25)38(56)49-30(17-9-18-45-40(42)43)37(55)51-32(36(54)46-23-34(41)52)20-27-15-8-14-26-13-6-7-16-29(26)27/h3-8,11-16,22,24,30-33H,2,9-10,17-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124768
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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](Cc1csc2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49N11O6S/c1-2-9-33(51)46-30(18-25-19-42-22-45-25)37(55)48-28(16-23-10-4-3-5-11-23)36(54)47-27(13-8-15-43-38(40)41)35(53)49-29(34(52)44-20-32(39)50)17-24-21-56-31-14-7-6-12-26(24)31/h3-7,10-12,14,19,21-22,27-30H,2,8-9,13,15-18,20H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451760
(CHEMBL2371220)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.74,-13.45,;-.6,-12.41,;-.92,-10.91,;.22,-9.89,;1.68,-10.36,;-.11,-8.38,;1.03,-7.35,;.73,-5.85,;1.87,-4.82,;3.37,-5.14,;4.14,-3.8,;3.12,-2.66,;1.71,-3.29,;2.51,-7.82,;2.82,-9.33,;3.65,-6.79,;5.12,-7.27,;5.43,-8.78,;6.89,-9.26,;8.05,-8.22,;9.5,-8.7,;9.82,-10.2,;8.68,-11.24,;9.03,-12.73,;7.89,-13.78,;6.41,-13.31,;6.08,-11.8,;7.22,-10.76,;6.26,-6.24,;5.94,-4.73,;7.72,-6.72,;8.86,-5.68,;8.55,-4.17,;9.69,-3.15,;9.37,-1.65,;10.51,-.61,;10.19,.88,;11.34,1.92,;8.73,1.36,;10.33,-6.16,;10.64,-7.66,;11.48,-5.14,;12.93,-5.61,;13.26,-7.12,;14.73,-7.59,;15.97,-6.68,;17.21,-7.59,;16.73,-9.06,;17.5,-10.38,;16.73,-11.72,;15.2,-11.72,;14.43,-10.38,;15.2,-9.06,;14.08,-4.58,;13.76,-3.08,;15.55,-5.06,;16.69,-4.02,;18.15,-4.5,;19.29,-3.47,;18.47,-6.01,)| Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451761
(CHEMBL2371218)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.37,;11.27,-10.82,;11.62,-12.31,;10.5,-13.34,;9.04,-12.89,;8.69,-11.41,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124779
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H49F3N12O6/c1-2-7-33(56)51-31(17-25-19-46-21-50-25)37(60)53-29(15-22-8-5-9-24(14-22)39(40,41)42)36(59)52-28(12-6-13-47-38(44)45)35(58)54-30(34(57)49-20-32(43)55)16-23-18-48-27-11-4-3-10-26(23)27/h3-5,8-11,14,18-19,21,28-31,48H,2,6-7,12-13,15-17,20H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t28-,29-,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124776
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H50N12O7/c1-2-6-33(53)47-31(17-24-19-42-21-46-24)37(57)49-29(15-22-10-12-25(51)13-11-22)36(56)48-28(9-5-14-43-38(40)41)35(55)50-30(34(54)45-20-32(39)52)16-23-18-44-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,44,51H,2,5-6,9,14-17,20H2,1H3,(H2,39,52)(H,42,46)(H,45,54)(H,47,53)(H,48,56)(H,49,57)(H,50,55)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124777
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(N)=O |wU:6.6,16.17,27.29,wD:38.40,(-9.4,-5.78,;-8.08,-5.01,;-8.08,-3.47,;-6.73,-2.71,;-5.4,-3.47,;-6.73,-1.17,;-5.4,-.4,;-5.4,1.16,;-4.06,1.93,;-2.65,1.3,;-1.62,2.44,;-2.39,3.78,;-3.91,3.47,;-4.06,-1.17,;-4.06,-2.71,;-2.73,-.4,;-1.39,-1.17,;-1.39,-2.71,;-.05,-3.48,;1.28,-2.71,;2.62,-3.48,;2.62,-5.02,;1.28,-5.79,;-.05,-5.02,;-.05,-.4,;-.05,1.16,;1.28,-1.17,;2.62,-.4,;2.62,1.16,;3.95,1.93,;3.95,3.47,;5.29,4.24,;5.29,5.8,;6.63,6.55,;3.95,6.55,;3.95,-1.17,;3.95,-2.71,;5.29,-.4,;6.63,-1.17,;6.63,-2.71,;7.96,-3.48,;9.29,-2.71,;10.63,-3.47,;10.63,-5.02,;11.97,-5.79,;9.29,-5.81,;9.29,-7.35,;7.95,-5.02,;7.96,-.4,;7.96,1.16,;9.31,-1.17,;10.64,-.4,;11.97,-1.17,;13.3,-.4,;11.97,-2.71,)| Show InChI InChI=1S/C36H47Cl2N11O6/c1-2-7-31(51)46-29(17-23-18-42-20-45-23)35(55)49-28(15-21-8-4-3-5-9-21)34(54)47-26(10-6-13-43-36(40)41)33(53)48-27(32(52)44-19-30(39)50)16-22-11-12-24(37)25(38)14-22/h3-5,8-9,11-12,14,18,20,26-29H,2,6-7,10,13,15-17,19H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)(H4,40,41,43)/t26-,27-,28+,29-/m0/s1 | PDB
KEGG
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antibodypedia
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KEGG
PC cid
PC sid
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Similars
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124767
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,27.29,wD:38.40,(-4.03,-19.31,;-2.71,-18.54,;-2.71,-17,;-1.37,-16.23,;-.04,-17,;-1.37,-14.69,;-.04,-13.92,;-.04,-12.37,;1.31,-11.6,;2.71,-12.23,;3.74,-11.09,;2.97,-9.75,;1.45,-10.06,;1.31,-14.69,;1.31,-16.23,;2.64,-13.92,;3.97,-14.69,;3.97,-16.23,;5.32,-17.01,;6.65,-16.23,;7.98,-17.01,;7.98,-18.55,;6.65,-19.32,;5.32,-18.55,;5.32,-13.92,;5.32,-12.37,;6.65,-14.69,;7.98,-13.92,;7.98,-12.37,;9.31,-11.6,;9.31,-10.06,;10.66,-9.29,;10.66,-7.74,;12,-6.98,;9.31,-6.98,;9.31,-14.69,;9.31,-16.23,;10.66,-13.92,;12,-14.69,;12,-16.23,;13.32,-17.01,;14.67,-16.23,;16.01,-17.01,;16.01,-18.55,;14.68,-19.32,;14.68,-20.86,;13.35,-21.65,;12,-20.87,;11.99,-19.32,;13.32,-18.55,;13.32,-13.92,;13.32,-12.37,;14.67,-14.69,;16.01,-13.92,;17.34,-14.69,;18.67,-13.92,;17.34,-16.23,)| Show InChI InChI=1S/C40H51N11O6/c1-2-10-35(53)48-33(21-28-22-44-24-47-28)39(57)50-31(19-25-11-4-3-5-12-25)38(56)49-30(17-9-18-45-40(42)43)37(55)51-32(36(54)46-23-34(41)52)20-27-15-8-14-26-13-6-7-16-29(26)27/h3-8,11-16,22,24,30-33H,2,9-10,17-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
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Similars
| PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124772
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,30.32,wD:41.43,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;7.22,-10.94,;8.69,-11.41,;9.83,-10.38,;11.29,-10.85,;11.61,-12.36,;13.07,-12.83,;9.5,-8.88,;8.05,-8.39,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
KEGG
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| CHEMBL
KEGG
PC cid
PC sid
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Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451760
(CHEMBL2371220)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.74,-13.45,;-.6,-12.41,;-.92,-10.91,;.22,-9.89,;1.68,-10.36,;-.11,-8.38,;1.03,-7.35,;.73,-5.85,;1.87,-4.82,;3.37,-5.14,;4.14,-3.8,;3.12,-2.66,;1.71,-3.29,;2.51,-7.82,;2.82,-9.33,;3.65,-6.79,;5.12,-7.27,;5.43,-8.78,;6.89,-9.26,;8.05,-8.22,;9.5,-8.7,;9.82,-10.2,;8.68,-11.24,;9.03,-12.73,;7.89,-13.78,;6.41,-13.31,;6.08,-11.8,;7.22,-10.76,;6.26,-6.24,;5.94,-4.73,;7.72,-6.72,;8.86,-5.68,;8.55,-4.17,;9.69,-3.15,;9.37,-1.65,;10.51,-.61,;10.19,.88,;11.34,1.92,;8.73,1.36,;10.33,-6.16,;10.64,-7.66,;11.48,-5.14,;12.93,-5.61,;13.26,-7.12,;14.73,-7.59,;15.97,-6.68,;17.21,-7.59,;16.73,-9.06,;17.5,-10.38,;16.73,-11.72,;15.2,-11.72,;14.43,-10.38,;15.2,-9.06,;14.08,-4.58,;13.76,-3.08,;15.55,-5.06,;16.69,-4.02,;18.15,-4.5,;19.29,-3.47,;18.47,-6.01,)| Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
KEGG
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PC sid
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Similars
| PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124770
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1 | PDB
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Similars
| PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124774
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H52N12O6/c1-3-7-34(53)48-32(18-26-20-43-22-47-26)38(57)50-30(16-24-13-11-23(2)12-14-24)37(56)49-29(10-6-15-44-39(41)42)36(55)51-31(35(54)46-21-33(40)52)17-25-19-45-28-9-5-4-8-27(25)28/h4-5,8-9,11-14,19-20,22,29-32,45H,3,6-7,10,15-18,21H2,1-2H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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PC sid
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Similars
| PubMed
| n/a | n/a | n/a | n/a | 77 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124772
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,30.32,wD:41.43,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;7.22,-10.94,;8.69,-11.41,;9.83,-10.38,;11.29,-10.85,;11.61,-12.36,;13.07,-12.83,;9.5,-8.88,;8.05,-8.39,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124774
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H52N12O6/c1-3-7-34(53)48-32(18-26-20-43-22-47-26)38(57)50-30(16-24-13-11-23(2)12-14-24)37(56)49-29(10-6-15-44-39(41)42)36(55)51-31(35(54)46-21-33(40)52)17-25-19-45-28-9-5-4-8-27(25)28/h4-5,8-9,11-14,19-20,22,29-32,45H,3,6-7,10,15-18,21H2,1-2H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
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Similars
| PubMed
| n/a | n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124770
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124773
((S)-2-{(S)-3-(4-Bromo-phenyl)-2-[(S)-2-butyrylamin...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49BrN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
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Similars
| PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451759
(CHEMBL2371219)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,29.31,wD:40.42,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.37,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.36,;11.29,-10.85,;8.69,-11.41,;9.03,-12.9,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.64,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.97,-6.85,;17.22,-7.76,;16.74,-9.22,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.22,;14.09,-4.76,;13.76,-3.24,;15.55,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C38H48Cl2N12O6/c1-2-6-33(54)49-31(16-23-18-44-20-48-23)37(58)51-29(14-21-10-11-25(39)26(40)13-21)36(57)50-28(9-5-12-45-38(42)43)35(56)52-30(34(55)47-19-32(41)53)15-22-17-46-27-8-4-3-7-24(22)27/h3-4,7-8,10-11,13,17-18,20,28-31,46H,2,5-6,9,12,14-16,19H2,1H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t28-,29+,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50451762
(CHEMBL2112920)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:27.29,16.17,6.6,wD:38.40,(-6.26,-5.82,;-4.92,-5.06,;-3.6,-5.83,;-2.27,-5.06,;-2.27,-3.52,;-.93,-5.83,;.4,-5.06,;.4,-3.52,;1.74,-2.75,;3.13,-3.37,;4.16,-2.22,;3.39,-.89,;1.89,-1.21,;1.74,-5.83,;1.74,-7.37,;3.07,-5.06,;4.41,-5.83,;4.41,-7.37,;5.73,-8.14,;5.73,-9.68,;7.06,-10.44,;8.39,-9.68,;8.39,-8.13,;7.05,-7.36,;5.73,-5.06,;5.73,-3.52,;7.07,-5.83,;8.4,-5.06,;8.4,-3.52,;9.73,-2.75,;9.73,-1.21,;11.07,-.44,;11.07,1.1,;12.4,1.87,;9.73,1.87,;9.73,-5.83,;9.73,-7.37,;11.07,-5.06,;12.4,-5.83,;12.4,-7.37,;13.74,-8.14,;15.06,-7.37,;16.39,-8.13,;16.4,-9.69,;17.72,-10.46,;17.73,-11.99,;16.38,-12.77,;15.05,-11.99,;15.06,-10.45,;13.72,-9.68,;13.74,-5.06,;13.74,-3.52,;15.07,-5.83,;16.39,-5.06,;17.73,-5.82,;19.05,-5.05,;17.72,-7.35,)| Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31-,32+,33-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124780
((S)-2-[2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)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(N)=O |wU:38.40,6.6,16.17,27.29,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;7.22,-10.94,;8.69,-11.41,;9.83,-10.38,;9.5,-8.88,;8.05,-8.39,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30+,31-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation at 50 uM |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124775
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H52N12O7/c1-3-7-34(53)48-32(18-25-20-43-22-47-25)38(57)50-30(16-23-11-13-26(58-2)14-12-23)37(56)49-29(10-6-15-44-39(41)42)36(55)51-31(35(54)46-21-33(40)52)17-24-19-45-28-9-5-4-8-27(24)28/h4-5,8-9,11-14,19-20,22,29-32,45H,3,6-7,10,15-18,21H2,1-2H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124768
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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](Cc1csc2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49N11O6S/c1-2-9-33(51)46-30(18-25-19-42-22-45-25)37(55)48-28(16-23-10-4-3-5-11-23)36(54)47-27(13-8-15-43-38(40)41)35(53)49-29(34(52)44-20-32(39)50)17-24-21-56-31-14-7-6-12-26(24)31/h3-7,10-12,14,19,21-22,27-30H,2,8-9,13,15-18,20H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 274 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124766
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124780
((S)-2-[2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)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(N)=O |wU:38.40,6.6,16.17,27.29,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;7.22,-10.94,;8.69,-11.41,;9.83,-10.38,;9.5,-8.88,;8.05,-8.39,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30+,31-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124776
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H50N12O7/c1-2-6-33(53)47-31(17-24-19-42-21-46-24)37(57)49-29(15-22-10-12-25(51)13-11-22)36(56)48-28(9-5-14-43-38(40)41)35(55)50-30(34(54)45-20-32(39)52)16-23-18-44-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,44,51H,2,5-6,9,14-17,20H2,1H3,(H2,39,52)(H,42,46)(H,45,54)(H,47,53)(H,48,56)(H,49,57)(H,50,55)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50451763
(CHEMBL2112919)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:16.17,6.6,26.28,wD:37.39,(-1.74,-13.62,;-.6,-12.59,;-.92,-11.08,;.22,-10.06,;1.68,-10.52,;-.11,-8.55,;1.03,-7.52,;.73,-6.01,;1.87,-4.99,;3.37,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.96,;5.12,-7.44,;5.43,-8.96,;6.89,-9.43,;7.37,-10.89,;8.92,-10.89,;9.38,-9.42,;8.14,-8.51,;6.26,-6.41,;5.94,-4.91,;7.72,-6.89,;8.86,-5.86,;8.55,-4.35,;9.69,-3.33,;9.37,-1.82,;10.51,-.79,;10.19,.71,;11.34,1.74,;8.73,1.2,;10.33,-6.34,;10.64,-7.84,;11.48,-5.31,;12.93,-5.78,;13.26,-7.29,;14.73,-7.75,;15.97,-6.85,;17.21,-7.75,;16.73,-9.22,;17.5,-10.56,;16.73,-11.89,;15.2,-11.89,;14.43,-10.56,;15.2,-9.22,;14.08,-4.75,;13.76,-3.24,;15.55,-5.22,;16.69,-4.2,;18.15,-4.68,;19.29,-3.64,;18.47,-6.17,)| Show InChI InChI=1S/C36H48N12O6S/c1-2-7-31(50)45-28(15-22-18-40-20-44-22)34(53)48-29(16-23-8-6-13-55-23)35(54)46-26(11-5-12-41-36(38)39)33(52)47-27(32(51)43-19-30(37)49)14-21-17-42-25-10-4-3-9-24(21)25/h3-4,6,8-10,13,17-18,20,26-29,42H,2,5,7,11-12,14-16,19H2,1H3,(H2,37,49)(H,40,44)(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,41)/t26-,27-,28-,29+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation at 50 uM |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451762
(CHEMBL2112920)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:27.29,16.17,6.6,wD:38.40,(-6.26,-5.82,;-4.92,-5.06,;-3.6,-5.83,;-2.27,-5.06,;-2.27,-3.52,;-.93,-5.83,;.4,-5.06,;.4,-3.52,;1.74,-2.75,;3.13,-3.37,;4.16,-2.22,;3.39,-.89,;1.89,-1.21,;1.74,-5.83,;1.74,-7.37,;3.07,-5.06,;4.41,-5.83,;4.41,-7.37,;5.73,-8.14,;5.73,-9.68,;7.06,-10.44,;8.39,-9.68,;8.39,-8.13,;7.05,-7.36,;5.73,-5.06,;5.73,-3.52,;7.07,-5.83,;8.4,-5.06,;8.4,-3.52,;9.73,-2.75,;9.73,-1.21,;11.07,-.44,;11.07,1.1,;12.4,1.87,;9.73,1.87,;9.73,-5.83,;9.73,-7.37,;11.07,-5.06,;12.4,-5.83,;12.4,-7.37,;13.74,-8.14,;15.06,-7.37,;16.39,-8.13,;16.4,-9.69,;17.72,-10.46,;17.73,-11.99,;16.38,-12.77,;15.05,-11.99,;15.06,-10.45,;13.72,-9.68,;13.74,-5.06,;13.74,-3.52,;15.07,-5.83,;16.39,-5.06,;17.73,-5.82,;19.05,-5.05,;17.72,-7.35,)| Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31-,32+,33-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451763
(CHEMBL2112919)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:16.17,6.6,26.28,wD:37.39,(-1.74,-13.62,;-.6,-12.59,;-.92,-11.08,;.22,-10.06,;1.68,-10.52,;-.11,-8.55,;1.03,-7.52,;.73,-6.01,;1.87,-4.99,;3.37,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.96,;5.12,-7.44,;5.43,-8.96,;6.89,-9.43,;7.37,-10.89,;8.92,-10.89,;9.38,-9.42,;8.14,-8.51,;6.26,-6.41,;5.94,-4.91,;7.72,-6.89,;8.86,-5.86,;8.55,-4.35,;9.69,-3.33,;9.37,-1.82,;10.51,-.79,;10.19,.71,;11.34,1.74,;8.73,1.2,;10.33,-6.34,;10.64,-7.84,;11.48,-5.31,;12.93,-5.78,;13.26,-7.29,;14.73,-7.75,;15.97,-6.85,;17.21,-7.75,;16.73,-9.22,;17.5,-10.56,;16.73,-11.89,;15.2,-11.89,;14.43,-10.56,;15.2,-9.22,;14.08,-4.75,;13.76,-3.24,;15.55,-5.22,;16.69,-4.2,;18.15,-4.68,;19.29,-3.64,;18.47,-6.17,)| Show InChI InChI=1S/C36H48N12O6S/c1-2-7-31(50)45-28(15-22-18-40-20-44-22)34(53)48-29(16-23-8-6-13-55-23)35(54)46-26(11-5-12-41-36(38)39)33(52)47-27(32(51)43-19-30(37)49)14-21-17-42-25-10-4-3-9-24(21)25/h3-4,6,8-10,13,17-18,20,26-29,42H,2,5,7,11-12,14-16,19H2,1H3,(H2,37,49)(H,40,44)(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,41)/t26-,27-,28-,29+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124773
((S)-2-{(S)-3-(4-Bromo-phenyl)-2-[(S)-2-butyrylamin...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49BrN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124775
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H52N12O7/c1-3-7-34(53)48-32(18-25-20-43-22-47-25)38(57)50-30(16-23-11-13-26(58-2)14-12-23)37(56)49-29(10-6-15-44-39(41)42)36(55)51-31(35(54)46-21-33(40)52)17-24-19-45-28-9-5-4-8-27(24)28/h4-5,8-9,11-14,19-20,22,29-32,45H,3,6-7,10,15-18,21H2,1-2H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50451760
(CHEMBL2371220)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.74,-13.45,;-.6,-12.41,;-.92,-10.91,;.22,-9.89,;1.68,-10.36,;-.11,-8.38,;1.03,-7.35,;.73,-5.85,;1.87,-4.82,;3.37,-5.14,;4.14,-3.8,;3.12,-2.66,;1.71,-3.29,;2.51,-7.82,;2.82,-9.33,;3.65,-6.79,;5.12,-7.27,;5.43,-8.78,;6.89,-9.26,;8.05,-8.22,;9.5,-8.7,;9.82,-10.2,;8.68,-11.24,;9.03,-12.73,;7.89,-13.78,;6.41,-13.31,;6.08,-11.8,;7.22,-10.76,;6.26,-6.24,;5.94,-4.73,;7.72,-6.72,;8.86,-5.68,;8.55,-4.17,;9.69,-3.15,;9.37,-1.65,;10.51,-.61,;10.19,.88,;11.34,1.92,;8.73,1.36,;10.33,-6.16,;10.64,-7.66,;11.48,-5.14,;12.93,-5.61,;13.26,-7.12,;14.73,-7.59,;15.97,-6.68,;17.21,-7.59,;16.73,-9.06,;17.5,-10.38,;16.73,-11.72,;15.2,-11.72,;14.43,-10.38,;15.2,-9.06,;14.08,-4.58,;13.76,-3.08,;15.55,-5.06,;16.69,-4.02,;18.15,-4.5,;19.29,-3.47,;18.47,-6.01,)| Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124779
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H49F3N12O6/c1-2-7-33(56)51-31(17-25-19-46-21-50-25)37(60)53-29(15-22-8-5-9-24(14-22)39(40,41)42)36(59)52-28(12-6-13-47-38(44)45)35(58)54-30(34(57)49-20-32(43)55)16-23-18-48-27-11-4-3-10-26(23)27/h3-5,8-11,14,18-19,21,28-31,48H,2,6-7,12-13,15-17,20H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t28-,29-,30-,31-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124768
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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](Cc1csc2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49N11O6S/c1-2-9-33(51)46-30(18-25-19-42-22-45-25)37(55)48-28(16-23-10-4-3-5-11-23)36(54)47-27(13-8-15-43-38(40)41)35(53)49-29(34(52)44-20-32(39)50)17-24-21-56-31-14-7-6-12-26(24)31/h3-7,10-12,14,19,21-22,27-30H,2,8-9,13,15-18,20H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124766
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50124767
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,27.29,wD:38.40,(-4.03,-19.31,;-2.71,-18.54,;-2.71,-17,;-1.37,-16.23,;-.04,-17,;-1.37,-14.69,;-.04,-13.92,;-.04,-12.37,;1.31,-11.6,;2.71,-12.23,;3.74,-11.09,;2.97,-9.75,;1.45,-10.06,;1.31,-14.69,;1.31,-16.23,;2.64,-13.92,;3.97,-14.69,;3.97,-16.23,;5.32,-17.01,;6.65,-16.23,;7.98,-17.01,;7.98,-18.55,;6.65,-19.32,;5.32,-18.55,;5.32,-13.92,;5.32,-12.37,;6.65,-14.69,;7.98,-13.92,;7.98,-12.37,;9.31,-11.6,;9.31,-10.06,;10.66,-9.29,;10.66,-7.74,;12,-6.98,;9.31,-6.98,;9.31,-14.69,;9.31,-16.23,;10.66,-13.92,;12,-14.69,;12,-16.23,;13.32,-17.01,;14.67,-16.23,;16.01,-17.01,;16.01,-18.55,;14.68,-19.32,;14.68,-20.86,;13.35,-21.65,;12,-20.87,;11.99,-19.32,;13.32,-18.55,;13.32,-13.92,;13.32,-12.37,;14.67,-14.69,;16.01,-13.92,;17.34,-14.69,;18.67,-13.92,;17.34,-16.23,)| Show InChI InChI=1S/C40H51N11O6/c1-2-10-35(53)48-33(21-28-22-44-24-47-28)39(57)50-31(19-25-11-4-3-5-12-25)38(56)49-30(17-9-18-45-40(42)43)37(55)51-32(36(54)46-23-34(41)52)20-27-15-8-14-26-13-6-7-16-29(26)27/h3-8,11-16,22,24,30-33H,2,9-10,17-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50124779
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C39H49F3N12O6/c1-2-7-33(56)51-31(17-25-19-46-21-50-25)37(60)53-29(15-22-8-5-9-24(14-22)39(40,41)42)36(59)52-28(12-6-13-47-38(44)45)35(58)54-30(34(57)49-20-32(43)55)16-23-18-48-27-11-4-3-10-26(23)27/h3-5,8-11,14,18-19,21,28-31,48H,2,6-7,12-13,15-17,20H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t28-,29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451761
(CHEMBL2371218)Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.37,;11.27,-10.82,;11.62,-12.31,;10.5,-13.34,;9.04,-12.89,;8.69,-11.41,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)| Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation |
Bioorg Med Chem Lett 13: 649-52 (2003)
BindingDB Entry DOI: 10.7270/Q2V69J0G |
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Ligand-Target Pair | |
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