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BDBM50354716 CHEMBL1834394

SMILES: CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)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

InChI Key: InChIKey=COFJQEKKNHZDRJ-NUCPMCLHSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50354716   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 1


(Mus musculus)
BDBM50354716
PNG
(CHEMBL1834394)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)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
Show InChI InChI=1S/C111H167FN30O26/c1-4-5-27-77(127-106(165)86(67-144)133-103(162)82(56-71-33-35-74(145)36-34-71)130-105(164)85(66-143)118-41-18-6-7-21-46-142-87-31-12-9-16-39-111(112,96(87)135-136-142)109(168)120-43-20-19-42-119-90(147)62-137-47-49-138(63-92(150)151)51-53-140(65-94(154)155)54-52-139(50-48-137)64-93(152)153)99(158)128-79(37-38-91(148)149)101(160)132-84(58-73-60-117-68-124-73)104(163)129-81(55-70-24-10-8-11-25-70)102(161)126-78(30-22-44-121-110(115)116)100(159)131-83(57-72-59-122-76-28-14-13-26-75(72)76)98(157)123-61-89(146)125-80(29-15-17-40-113)108(167)141-45-23-32-88(141)107(166)134-95(69(2)3)97(114)156/h8,10-11,13-14,24-26,28,33-36,59-60,68-69,77-86,88,95,118,122,143-145H,4-7,9,12,15-23,27,29-32,37-58,61-67,113H2,1-3H3,(H2,114,156)(H,117,124)(H,119,147)(H,120,168)(H,123,157)(H,125,146)(H,126,161)(H,127,165)(H,128,158)(H,129,163)(H,130,164)(H,131,159)(H,132,160)(H,133,162)(H,134,166)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H4,115,116,121)/t77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,88-,95-,111?/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ
More data for this
Ligand-Target Pair