Found 591 hits of ki data for polymerid = 6547 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)) | BDBM250661
(US9447148, 9.30)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.00500 | -67.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590042
(CHEMBL5175981)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCN)C2CCc31 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >0.00549 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50131251
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35-,36-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R) |
Bioorg Med Chem Lett 13: 2647-50 (2003)
BindingDB Entry DOI: 10.7270/Q2474BD9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250633
(US9447148, 9.1)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0100 | -65.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250653
(US9447148, 9.22)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)CC1CCCCC1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0100 | -65.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250652
(US9447148, 9.21)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)CC1CCCC1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0100 | -65.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250642
(US9447148, 9.10)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0100 | -65.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250634
(US9447148, 9.2 | US9447148, 9.31)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0120 | -64.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250668
(US9447148, 9.37 | US9447148, 9.50)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0140 | -64.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250668
(US9447148, 9.37 | US9447148, 9.50)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0140 | -64.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250673
(US9447148, 9.42 | US9447148, 9.55)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0150 | -64.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250673
(US9447148, 9.42 | US9447148, 9.55)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0150 | -64.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250658
(US9447148, 9.27)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0150 | -64.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250649
(US9447148, 9.18)Show SMILES CCCCCCC(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0150 | -64.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250643
(US9447148, 9.11)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0200 | -63.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM85021
(alpha-MSH, [Nle4, D-Phe7])Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,55.56,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)| Show InChI InChI=1S/C78H110N20O20/c1-5-6-19-52(90-74(114)61(41-100)96-71(111)57(34-46-24-26-49(102)27-25-46)93-73(113)60(40-99)87-44(4)101)67(107)91-54(28-29-64(104)105)69(109)95-59(36-48-38-82-42-86-48)72(112)92-56(33-45-16-8-7-9-17-45)70(110)89-53(22-14-31-83-78(80)81)68(108)94-58(35-47-37-84-51-20-11-10-18-50(47)51)66(106)85-39-63(103)88-55(21-12-13-30-79)76(116)98-32-15-23-62(98)75(115)97-65(43(2)3)77(117)118/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,84,99-100,102H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H,82,86)(H,85,106)(H,87,101)(H,88,103)(H,89,110)(H,90,114)(H,91,107)(H,92,112)(H,93,113)(H,94,108)(H,95,109)(H,96,111)(H,97,115)(H,104,105)(H,117,118)(H4,80,81,83)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 79: 161-5 (1996)
Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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| 0.0231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala
Curated by PDSP Ki Database
| |
Eur J Pharmacol 288: 311-7 (1995)
Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250648
(US9447148, 9.17)Show SMILES CCCCCC(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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| PC cid
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UniChem
| US Patent
| 0.0250 | -62.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250660
(US9447148, 9.29)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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| US Patent
| 0.0250 | -62.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250651
(US9447148, 9.20)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C1CCCCC1 |r| | PDB
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| PC cid
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UniChem
| US Patent
| 0.0250 | -62.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250655
(US9447148, 9.24)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)CCc1ccccc1 |r| | PDB
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| PC cid
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UniChem
| US Patent
| 0.0300 | -62.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250659
(US9447148, 9.28)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| 0.0300 | -62.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM82412
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)| Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| PC cid
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| 0.0334 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala
Curated by PDSP Ki Database
| |
Eur J Pharmacol 288: 311-7 (1995)
Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM82412
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)| Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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Uppsala University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 79: 161-5 (1996)
Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250654
(US9447148, 9.23)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)Cc1ccccc1 |r| | PDB
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| US Patent
| 0.0400 | -61.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250671
(US9447148, 9.40 | US9447148, 9.53)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
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PC sid
UniChem
| US Patent
| 0.0400 | -61.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250635
(US9447148, 9.3)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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UniChem
| US Patent
| 0.0400 | -61.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250671
(US9447148, 9.40 | US9447148, 9.53)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
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UniChem
| US Patent
| 0.0400 | -61.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM82406
(desacetyl-alpha-MSH)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:74.76,92.96,52.53,42.42,104.110,108.113,33.33,8.10,26.27,wD:63.65,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-11.9,10.76,;-10.56,13.06,;-9.24,13.83,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)| Show InChI InChI=1S/C75H106N20O19S/c1-41(2)62(74(113)114)94-72(111)59-19-12-29-95(59)73(112)53(17-9-10-27-76)85-60(99)37-83-64(103)56(33-44-35-82-49-16-8-7-15-47(44)49)91-65(104)50(18-11-28-81-75(78)79)86-68(107)55(31-42-13-5-4-6-14-42)90-70(109)57(34-45-36-80-40-84-45)92-66(105)51(24-25-61(100)101)87-67(106)52(26-30-115-3)88-71(110)58(39-97)93-69(108)54(89-63(102)48(77)38-96)32-43-20-22-46(98)23-21-43/h4-8,13-16,20-23,35-36,40-41,48,50-59,62,82,96-98H,9-12,17-19,24-34,37-39,76-77H2,1-3H3,(H,80,84)(H,83,103)(H,85,99)(H,86,107)(H,87,106)(H,88,110)(H,89,102)(H,90,109)(H,91,104)(H,92,105)(H,93,108)(H,94,111)(H,100,101)(H,113,114)(H4,78,79,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1 | PDB
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| 0.0432 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala
Curated by PDSP Ki Database
| |
Eur J Pharmacol 288: 311-7 (1995)
Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM82406
(desacetyl-alpha-MSH)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:74.76,92.96,52.53,42.42,104.110,108.113,33.33,8.10,26.27,wD:63.65,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-11.9,10.76,;-10.56,13.06,;-9.24,13.83,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)| Show InChI InChI=1S/C75H106N20O19S/c1-41(2)62(74(113)114)94-72(111)59-19-12-29-95(59)73(112)53(17-9-10-27-76)85-60(99)37-83-64(103)56(33-44-35-82-49-16-8-7-15-47(44)49)91-65(104)50(18-11-28-81-75(78)79)86-68(107)55(31-42-13-5-4-6-14-42)90-70(109)57(34-45-36-80-40-84-45)92-66(105)51(24-25-61(100)101)87-67(106)52(26-30-115-3)88-71(110)58(39-97)93-69(108)54(89-63(102)48(77)38-96)32-43-20-22-46(98)23-21-43/h4-8,13-16,20-23,35-36,40-41,48,50-59,62,82,96-98H,9-12,17-19,24-34,37-39,76-77H2,1-3H3,(H,80,84)(H,83,103)(H,85,99)(H,86,107)(H,87,106)(H,88,110)(H,89,102)(H,90,109)(H,91,104)(H,92,105)(H,93,108)(H,94,111)(H,100,101)(H,113,114)(H4,78,79,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1 | PDB
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| 0.0432 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 79: 161-5 (1996)
Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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PC cid
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PubMed
| 0.0460 | 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 human recombinant MC1 receptor expressed in BHK570 cells after 90 mins 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250672
(US9447148, 9.41 | US9447148, 9.54)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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| US Patent
| 0.0500 | -61.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250672
(US9447148, 9.41 | US9447148, 9.54)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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| US Patent
| 0.0500 | -61.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50590040
(CHEMBL5185945)Show SMILES [H][C@]12CSc3nnc(SC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c1CCC2C(COC(=O)NCCOCCOCCN)C2CCc31 |r| | PDB
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| 0.0575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250674
(US9447148, 9.43)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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| US Patent
| 0.0650 | -60.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581303
(CHEMBL5087859)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O |r| | PDB
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| 0.0692 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250638
(US9447148, 9.6)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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| 0.0700 | -60.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50165935
(Ac-YRMEHdFRWGSPPKD-NH2 | CHEMBL414718)Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C84H119N25O21S/c1-46(111)97-60(37-48-23-25-51(112)26-24-48)77(125)99-55(19-10-31-92-83(87)88)72(120)102-58(29-35-131-2)76(124)101-57(27-28-68(114)115)75(123)107-63(39-50-42-91-45-96-50)79(127)105-61(36-47-14-4-3-5-15-47)78(126)100-56(20-11-32-93-84(89)90)74(122)106-62(38-49-41-94-53-17-7-6-16-52(49)53)71(119)95-43-67(113)98-64(44-110)81(129)109-34-13-22-66(109)82(130)108-33-12-21-65(108)80(128)103-54(18-8-9-30-85)73(121)104-59(70(86)118)40-69(116)117/h3-7,14-17,23-26,41-42,45,54-66,94,110,112H,8-13,18-22,27-40,43-44,85H2,1-2H3,(H2,86,118)(H,91,96)(H,95,119)(H,97,111)(H,98,113)(H,99,125)(H,100,126)(H,101,124)(H,102,120)(H,103,128)(H,104,121)(H,105,127)(H,106,122)(H,107,123)(H,114,115)(H,116,117)(H4,87,88,92)(H4,89,90,93)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-/m0/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250641
(US9447148, 9.9)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O |r| | PDB
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| 0.100 | -59.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50165931
(CHEMBL415165 | NDP-SYSMEHFRWGKPVG)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O Show InChI InChI=1S/C90H127N25O26S/c1-47(2)74(87(139)100-43-73(125)126)113-86(138)68-21-13-31-114(68)88(140)59(18-9-10-29-91)102-70(120)42-99-76(128)62(36-50-40-98-55-17-8-7-16-53(50)55)108-77(129)56(19-11-30-97-90(94)95)103-80(132)60(34-48-14-5-4-6-15-48)106-82(134)63(37-51-41-96-46-101-51)109-78(130)57(26-27-71(121)122)104-79(131)58(28-33-142-3)105-83(135)65(44-116)111-81(133)61(35-49-22-24-52(118)25-23-49)107-84(136)66(45-117)112-85(137)67-20-12-32-115(67)89(141)64(39-72(123)124)110-75(127)54(92)38-69(93)119/h4-8,14-17,22-25,40-41,46-47,54,56-68,74,98,116-118H,9-13,18-21,26-39,42-45,91-92H2,1-3H3,(H2,93,119)(H,96,101)(H,99,128)(H,100,139)(H,102,120)(H,103,132)(H,104,131)(H,105,135)(H,106,134)(H,107,136)(H,108,129)(H,109,130)(H,110,127)(H,111,133)(H,112,137)(H,113,138)(H,121,122)(H,123,124)(H,125,126)(H4,94,95,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-/m0/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM85022
(alpha-MSH, [Nle4])Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)| Show InChI InChI=1S/C78H110N20O20/c1-5-6-19-52(90-74(114)61(41-100)96-71(111)57(34-46-24-26-49(102)27-25-46)93-73(113)60(40-99)87-44(4)101)67(107)91-54(28-29-64(104)105)69(109)95-59(36-48-38-82-42-86-48)72(112)92-56(33-45-16-8-7-9-17-45)70(110)89-53(22-14-31-83-78(80)81)68(108)94-58(35-47-37-84-51-20-11-10-18-50(47)51)66(106)85-39-63(103)88-55(21-12-13-30-79)76(116)98-32-15-23-62(98)75(115)97-65(43(2)3)77(117)118/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,84,99-100,102H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H,82,86)(H,85,106)(H,87,101)(H,88,103)(H,89,110)(H,90,114)(H,91,107)(H,92,112)(H,93,113)(H,94,108)(H,95,109)(H,96,111)(H,97,115)(H,104,105)(H,117,118)(H4,80,81,83)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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| 0.102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 79: 161-5 (1996)
Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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| 0.112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM135768
(US10179804, Example 153 | US10632171, Peptide No. ...)Show SMILES CCCCC(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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| 0.120 | -58.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50581298
(CHEMBL5094168)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1 |r| | PDB
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TBA
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM160170
(US9040663, 16)Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CCN)NC(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)cc1 |r| | PDB
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| 0.150 | -58.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
AstraZeneca AB
US Patent
| Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK... |
US Patent US9040663 (2015)
BindingDB Entry DOI: 10.7270/Q29885SK |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50358559
(CHEMBL1923662)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:11.19,7.7,22.30,wD:44.46,(13.28,5.22,;14.61,4.46,;15.94,5.22,;14.61,2.91,;13.27,2.14,;13.27,.61,;11.94,-.17,;11.94,-1.7,;10.61,-2.47,;9.27,-1.7,;9.27,-.16,;7.94,-2.47,;7.94,-4.01,;9.26,-4.78,;10.6,-4.01,;11.93,-4.79,;11.93,-6.33,;10.59,-7.09,;9.26,-6.32,;6.6,-1.7,;5.27,-2.47,;5.27,-4,;3.93,-1.69,;3.93,-.15,;5.27,.62,;6.74,.15,;7.63,1.42,;6.71,2.65,;5.25,2.15,;2.6,-2.46,;1.27,-1.7,;1.27,-.16,;-.06,-2.47,;-1.4,-1.7,;-2.73,-2.47,;-4.07,-1.7,;-4.07,-.16,;-5.39,.6,;-6.73,-.17,;-6.73,-1.72,;-5.38,-2.48,;13.27,-2.47,;13.27,-4.02,;14.6,-1.71,;15.94,-2.48,;15.94,-4.02,;17.27,-4.78,;18.52,-3.89,;19.76,-4.8,;19.28,-6.27,;20.04,-7.6,;19.27,-8.93,;17.73,-8.92,;16.96,-7.59,;17.74,-6.26,;17.27,-1.7,;18.61,-2.48,;17.27,-.17,)| Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35+,36-/m0/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center& Research Institute
Curated by ChEMBL
| Assay Description
Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis |
J Med Chem 54: 8078-84 (2011)
Article DOI: 10.1021/jm201226w
BindingDB Entry DOI: 10.7270/Q2G1618K |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM250645
(US9447148, 9.13)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.195 | -57.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Palatin Technologies, Inc.
US Patent
| Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-... |
US Patent US9447148 (2016)
BindingDB Entry DOI: 10.7270/Q2RJ4HD2 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM160159
(US9040663, 5)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.200 | -57.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
AstraZeneca AB
US Patent
| Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK... |
US Patent US9040663 (2015)
BindingDB Entry DOI: 10.7270/Q29885SK |
More data for this
Ligand-Target Pair | |
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