Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50134954' 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)) | BDBM50134954
(CHEMBL439128 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[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)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61-,64-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement. |
J Med Chem 46: 4965-73 (2003)
Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50134954
(CHEMBL439128 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[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)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61-,64-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Intracellular cAMP accumulation in Melanocortin 4 receptor functional assay. |
J Med Chem 46: 4965-73 (2003)
Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P |
More data for this
Ligand-Target Pair | |
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