Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50164797' 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
(Mus musculus) | BDBM50164797
(CHEMBL3797808)Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C108H141N33O21/c1-62(142)128-78(48-67-52-114-60-126-67)98(154)133-76(44-63-20-4-2-5-21-63)96(152)131-74(29-13-37-117-108(112)113)95(151)135-80(47-66-51-119-72-27-11-9-25-70(66)72)106(162)141-43-19-35-86(141)105(161)125-59-92(148)140-42-18-34-85(140)104(160)124-58-91(147)139-41-17-33-84(139)103(159)123-57-90(146)138-40-16-32-83(138)102(158)122-56-89(145)137-39-15-31-82(137)101(157)121-55-88(144)136-38-14-30-81(136)100(156)120-54-87(143)129-79(49-68-53-115-61-127-68)99(155)134-77(45-64-22-6-3-7-23-64)97(153)130-73(28-12-36-116-107(110)111)94(150)132-75(93(109)149)46-65-50-118-71-26-10-8-24-69(65)71/h2-11,20-27,50-53,60-61,73-86,118-119H,12-19,28-49,54-59H2,1H3,(H2,109,149)(H,114,126)(H,115,127)(H,120,156)(H,121,157)(H,122,158)(H,123,159)(H,124,160)(H,125,161)(H,128,142)(H,129,143)(H,130,153)(H,131,152)(H,132,150)(H,133,154)(H,134,155)(H,135,151)(H4,110,111,116)(H4,112,113,117)/t73-,74-,75-,76+,77+,78-,79?,80-,81-,82-,83-,84-,85-,86-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50164797
(CHEMBL3797808)Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C108H141N33O21/c1-62(142)128-78(48-67-52-114-60-126-67)98(154)133-76(44-63-20-4-2-5-21-63)96(152)131-74(29-13-37-117-108(112)113)95(151)135-80(47-66-51-119-72-27-11-9-25-70(66)72)106(162)141-43-19-35-86(141)105(161)125-59-92(148)140-42-18-34-85(140)104(160)124-58-91(147)139-41-17-33-84(139)103(159)123-57-90(146)138-40-16-32-83(138)102(158)122-56-89(145)137-39-15-31-82(137)101(157)121-55-88(144)136-38-14-30-81(136)100(156)120-54-87(143)129-79(49-68-53-115-61-127-68)99(155)134-77(45-64-22-6-3-7-23-64)97(153)130-73(28-12-36-116-107(110)111)94(150)132-75(93(109)149)46-65-50-118-71-26-10-8-24-69(65)71/h2-11,20-27,50-53,60-61,73-86,118-119H,12-19,28-49,54-59H2,1H3,(H2,109,149)(H,114,126)(H,115,127)(H,120,156)(H,121,157)(H,122,158)(H,123,159)(H,124,160)(H,125,161)(H,128,142)(H,129,143)(H,130,153)(H,131,152)(H,132,150)(H,133,154)(H,134,155)(H,135,151)(H4,110,111,116)(H4,112,113,117)/t73-,74-,75-,76+,77+,78-,79?,80-,81-,82-,83-,84-,85-,86-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumulation incubated for 2 hrs by alphascreen assay |
J Med Chem 59: 3112-28 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01894
BindingDB Entry DOI: 10.7270/Q2R2139S |
More data for this
Ligand-Target Pair | |
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