Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50027179' 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)) | BDBM50027179
(CHEMBL2096759)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON Show InChI InChI=1S/C75H102N22O16/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)86-39-60(99)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(79)80)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-61(100)101)72(111)91-53(23-14-29-83-74(77)78)67(106)93-55(32-43-16-8-6-9-17-43)66(105)87-40-62(102)113-81/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76,81H2,1-3H3,(H,82,88)(H,86,104)(H,87,105)(H,89,99)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,100,101)(H4,77,78,83)(H4,79,80,84)/t50-,52-,53-,54-,55-,56+,57+,58-,59-,63-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4) |
J Med Chem 48: 1839-48 (2005)
Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50027179
(CHEMBL2096759)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON Show InChI InChI=1S/C75H102N22O16/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)86-39-60(99)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(79)80)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-61(100)101)72(111)91-53(23-14-29-83-74(77)78)67(106)93-55(32-43-16-8-6-9-17-43)66(105)87-40-62(102)113-81/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76,81H2,1-3H3,(H,82,88)(H,86,104)(H,87,105)(H,89,99)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,100,101)(H4,77,78,83)(H4,79,80,84)/t50-,52-,53-,54-,55-,56+,57+,58-,59-,63-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Effective concentration for intracellular cAMP accumulation in human melanocortin 1 receptor expressing HEK 293 cells; (N = 4) |
J Med Chem 48: 1839-48 (2005)
Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5 |
More data for this
Ligand-Target Pair | |
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