Found 4 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50029748' 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
(Homo sapiens (Human)) | BDBM50029748
((2R,3R)-15-(2-Acetylamino-hexanoylamino)-9-benzyl-...)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)[C@@H](C)c1c[nH]c2ccccc12 |wU:27.28,56.63,65.68,5.5,wD:37.55,46.52,16.16,1.0,(19.89,-7.11,;18.68,-8.53,;18.45,-7.02,;17.78,-5.61,;19.09,-4.78,;16.79,-4.45,;17.81,-3.3,;19.32,-3.62,;20.34,-2.47,;21.85,-2.76,;22.87,-1.63,;24.37,-1.93,;22.39,-.17,;15.51,-3.6,;14.03,-3.12,;13.68,-4.91,;12.5,-3.04,;12.37,-1.5,;13.62,-.62,;13.49,.92,;14.74,1.81,;16.15,1.17,;16.27,-.36,;15.03,-1.26,;11.02,-3.39,;9.65,-4.13,;10.31,-5.51,;8.56,-5.2,;7.34,-4.26,;7.57,-2.73,;8.91,-2,;8.62,-.49,;7.12,-.27,;6.45,-1.66,;7.79,-6.54,;7.41,-8.01,;5.87,-7.85,;7.44,-9.54,;7.89,-11.05,;8.72,-12.34,;7.57,-13.33,;9.87,-13.36,;11.25,-14.03,;12.78,-14.32,;14.29,-14.18,;15.73,-13.64,;16.98,-12.71,;17.94,-11.49,;18.52,-10.06,;19.99,-10.45,;18.07,-13.81,;17.65,-15.3,;19.54,-13.43,;5.93,-9.81,;5.36,-11.25,;6.35,-12.45,;3.85,-11.49,;2.89,-10.29,;3.44,-8.87,;2.44,-7.66,;2.99,-6.22,;3.31,-12.93,;1.8,-13.27,;1.32,-14.71,;.78,-12.11,;20.21,-8.52,;20.6,-7.02,;21.56,-9.26,;23,-8.75,;23.93,-9.99,;23.03,-11.25,;23.41,-12.75,;22.26,-13.81,;20.79,-13.36,;20.47,-11.86,;21.59,-10.8,)| Show InChI InChI=1S/C51H71N15O9/c1-4-5-17-37(60-30(3)67)45(70)65-41-25-42(68)56-21-12-11-19-36(44(52)69)61-50(75)43(29(2)34-27-58-35-18-10-9-16-33(34)35)66-46(71)38(20-13-22-57-51(53)54)62-47(72)39(23-31-14-7-6-8-15-31)63-48(73)40(64-49(41)74)24-32-26-55-28-59-32/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25H2,1-3H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,75)(H,62,72)(H,63,73)(H,64,74)(H,65,70)(H,66,71)(H4,53,54,57)/t29-,36-,37-,38-,39+,40-,41-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
The concentration that inhibits 50% specific binding was determined against the Melanocortin 1 receptor |
J Med Chem 38: 4720-9 (1995)
BindingDB Entry DOI: 10.7270/Q2B56HRS |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50029748
((2R,3R)-15-(2-Acetylamino-hexanoylamino)-9-benzyl-...)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)[C@@H](C)c1c[nH]c2ccccc12 |wU:27.28,56.63,65.68,5.5,wD:37.55,46.52,16.16,1.0,(19.89,-7.11,;18.68,-8.53,;18.45,-7.02,;17.78,-5.61,;19.09,-4.78,;16.79,-4.45,;17.81,-3.3,;19.32,-3.62,;20.34,-2.47,;21.85,-2.76,;22.87,-1.63,;24.37,-1.93,;22.39,-.17,;15.51,-3.6,;14.03,-3.12,;13.68,-4.91,;12.5,-3.04,;12.37,-1.5,;13.62,-.62,;13.49,.92,;14.74,1.81,;16.15,1.17,;16.27,-.36,;15.03,-1.26,;11.02,-3.39,;9.65,-4.13,;10.31,-5.51,;8.56,-5.2,;7.34,-4.26,;7.57,-2.73,;8.91,-2,;8.62,-.49,;7.12,-.27,;6.45,-1.66,;7.79,-6.54,;7.41,-8.01,;5.87,-7.85,;7.44,-9.54,;7.89,-11.05,;8.72,-12.34,;7.57,-13.33,;9.87,-13.36,;11.25,-14.03,;12.78,-14.32,;14.29,-14.18,;15.73,-13.64,;16.98,-12.71,;17.94,-11.49,;18.52,-10.06,;19.99,-10.45,;18.07,-13.81,;17.65,-15.3,;19.54,-13.43,;5.93,-9.81,;5.36,-11.25,;6.35,-12.45,;3.85,-11.49,;2.89,-10.29,;3.44,-8.87,;2.44,-7.66,;2.99,-6.22,;3.31,-12.93,;1.8,-13.27,;1.32,-14.71,;.78,-12.11,;20.21,-8.52,;20.6,-7.02,;21.56,-9.26,;23,-8.75,;23.93,-9.99,;23.03,-11.25,;23.41,-12.75,;22.26,-13.81,;20.79,-13.36,;20.47,-11.86,;21.59,-10.8,)| Show InChI InChI=1S/C51H71N15O9/c1-4-5-17-37(60-30(3)67)45(70)65-41-25-42(68)56-21-12-11-19-36(44(52)69)61-50(75)43(29(2)34-27-58-35-18-10-9-16-33(34)35)66-46(71)38(20-13-22-57-51(53)54)62-47(72)39(23-31-14-7-6-8-15-31)63-48(73)40(64-49(41)74)24-32-26-55-28-59-32/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25H2,1-3H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,75)(H,62,72)(H,63,73)(H,64,74)(H,65,70)(H,66,71)(H4,53,54,57)/t29-,36-,37-,38-,39+,40-,41-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Effective concentration against Melanocortin 1 receptor transfected into L-cells was determined by concentration of peptide for 50% maximal cAMP gene... |
J Med Chem 38: 4720-9 (1995)
BindingDB Entry DOI: 10.7270/Q2B56HRS |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50029748
((2R,3R)-15-(2-Acetylamino-hexanoylamino)-9-benzyl-...)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)[C@@H](C)c1c[nH]c2ccccc12 |wU:27.28,56.63,65.68,5.5,wD:37.55,46.52,16.16,1.0,(19.89,-7.11,;18.68,-8.53,;18.45,-7.02,;17.78,-5.61,;19.09,-4.78,;16.79,-4.45,;17.81,-3.3,;19.32,-3.62,;20.34,-2.47,;21.85,-2.76,;22.87,-1.63,;24.37,-1.93,;22.39,-.17,;15.51,-3.6,;14.03,-3.12,;13.68,-4.91,;12.5,-3.04,;12.37,-1.5,;13.62,-.62,;13.49,.92,;14.74,1.81,;16.15,1.17,;16.27,-.36,;15.03,-1.26,;11.02,-3.39,;9.65,-4.13,;10.31,-5.51,;8.56,-5.2,;7.34,-4.26,;7.57,-2.73,;8.91,-2,;8.62,-.49,;7.12,-.27,;6.45,-1.66,;7.79,-6.54,;7.41,-8.01,;5.87,-7.85,;7.44,-9.54,;7.89,-11.05,;8.72,-12.34,;7.57,-13.33,;9.87,-13.36,;11.25,-14.03,;12.78,-14.32,;14.29,-14.18,;15.73,-13.64,;16.98,-12.71,;17.94,-11.49,;18.52,-10.06,;19.99,-10.45,;18.07,-13.81,;17.65,-15.3,;19.54,-13.43,;5.93,-9.81,;5.36,-11.25,;6.35,-12.45,;3.85,-11.49,;2.89,-10.29,;3.44,-8.87,;2.44,-7.66,;2.99,-6.22,;3.31,-12.93,;1.8,-13.27,;1.32,-14.71,;.78,-12.11,;20.21,-8.52,;20.6,-7.02,;21.56,-9.26,;23,-8.75,;23.93,-9.99,;23.03,-11.25,;23.41,-12.75,;22.26,-13.81,;20.79,-13.36,;20.47,-11.86,;21.59,-10.8,)| Show InChI InChI=1S/C51H71N15O9/c1-4-5-17-37(60-30(3)67)45(70)65-41-25-42(68)56-21-12-11-19-36(44(52)69)61-50(75)43(29(2)34-27-58-35-18-10-9-16-33(34)35)66-46(71)38(20-13-22-57-51(53)54)62-47(72)39(23-31-14-7-6-8-15-31)63-48(73)40(64-49(41)74)24-32-26-55-28-59-32/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25H2,1-3H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,75)(H,62,72)(H,63,73)(H,64,74)(H,65,70)(H,66,71)(H4,53,54,57)/t29-,36-,37-,38-,39+,40-,41-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Effective concentration against Melanocortin 1 receptor transfected into L-cells was determined by concentration of peptide for 50% maximal cAMP gene... |
J Med Chem 38: 4720-9 (1995)
BindingDB Entry DOI: 10.7270/Q2B56HRS |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50029748
((2R,3R)-15-(2-Acetylamino-hexanoylamino)-9-benzyl-...)Show SMILES [H][C@]1(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)[C@@H](C)c1c[nH]c2ccccc12 |wU:27.28,56.63,65.68,5.5,wD:37.55,46.52,16.16,1.0,(19.89,-7.11,;18.68,-8.53,;18.45,-7.02,;17.78,-5.61,;19.09,-4.78,;16.79,-4.45,;17.81,-3.3,;19.32,-3.62,;20.34,-2.47,;21.85,-2.76,;22.87,-1.63,;24.37,-1.93,;22.39,-.17,;15.51,-3.6,;14.03,-3.12,;13.68,-4.91,;12.5,-3.04,;12.37,-1.5,;13.62,-.62,;13.49,.92,;14.74,1.81,;16.15,1.17,;16.27,-.36,;15.03,-1.26,;11.02,-3.39,;9.65,-4.13,;10.31,-5.51,;8.56,-5.2,;7.34,-4.26,;7.57,-2.73,;8.91,-2,;8.62,-.49,;7.12,-.27,;6.45,-1.66,;7.79,-6.54,;7.41,-8.01,;5.87,-7.85,;7.44,-9.54,;7.89,-11.05,;8.72,-12.34,;7.57,-13.33,;9.87,-13.36,;11.25,-14.03,;12.78,-14.32,;14.29,-14.18,;15.73,-13.64,;16.98,-12.71,;17.94,-11.49,;18.52,-10.06,;19.99,-10.45,;18.07,-13.81,;17.65,-15.3,;19.54,-13.43,;5.93,-9.81,;5.36,-11.25,;6.35,-12.45,;3.85,-11.49,;2.89,-10.29,;3.44,-8.87,;2.44,-7.66,;2.99,-6.22,;3.31,-12.93,;1.8,-13.27,;1.32,-14.71,;.78,-12.11,;20.21,-8.52,;20.6,-7.02,;21.56,-9.26,;23,-8.75,;23.93,-9.99,;23.03,-11.25,;23.41,-12.75,;22.26,-13.81,;20.79,-13.36,;20.47,-11.86,;21.59,-10.8,)| Show InChI InChI=1S/C51H71N15O9/c1-4-5-17-37(60-30(3)67)45(70)65-41-25-42(68)56-21-12-11-19-36(44(52)69)61-50(75)43(29(2)34-27-58-35-18-10-9-16-33(34)35)66-46(71)38(20-13-22-57-51(53)54)62-47(72)39(23-31-14-7-6-8-15-31)63-48(73)40(64-49(41)74)24-32-26-55-28-59-32/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25H2,1-3H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,75)(H,62,72)(H,63,73)(H,64,74)(H,65,70)(H,66,71)(H4,53,54,57)/t29-,36-,37-,38-,39+,40-,41-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Effective concentration for the effect of Melanocortin 1 receptor in the frog skin. |
J Med Chem 38: 4720-9 (1995)
BindingDB Entry DOI: 10.7270/Q2B56HRS |
More data for this
Ligand-Target Pair | |
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