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BDBM50115294 Ac-Lys(DOTA)-ReCCEHdFRWCKPV-NH2::CHEMBL413451

SMILES: CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)C(CCCCNC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)NC(C)=O)C(=O)N23)S1)C(N)=O

InChI Key: InChIKey=PRKQZYMFHJXJNI-HHHDZYBGSA-J

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50115294   
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
Melanocyte-stimulating hormone receptor


(Mus musculus)		BDBM50115294
PNG
(Ac-Lys(DOTA)-ReCCEHdFRWCKPV-NH2 | CHEMBL413451)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)C(CCCCNC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)NC(C)=O)C(=O)N23)S1)C(N)=O
Show InChI InChI=1S/C91H131N25O24S3.O.Re/c1-53(2)74(75(92)127)108-82(134)68-27-17-33-116(68)89(138)64(25-13-15-31-98-91(139)140-51-56-20-8-5-9-21-56)104-84(136)86(141)110-81(133)66(43-57-45-99-60-23-11-10-22-59(57)60)106-76(128)62(26-16-32-97-90(93)94)102-79(131)65(42-55-18-6-4-7-19-55)105-80(132)67(44-58-46-95-52-100-58)107-77(129)63(28-29-70(119)120)103-83(135)87(142)111-85(137)88(143)109-78(130)61(101-54(3)117)24-12-14-30-96-69(118)47-112-34-36-113(48-71(121)122)38-40-115(50-73(125)126)41-39-114(37-35-112)49-72(123)124;;/h4-11,18-23,45-46,52-53,61-68,74,86-88,99H,12-17,24-44,47-51H2,1-3H3,(H27,92,93,94,95,96,97,98,100,101,102,103,104,105,106,107,108,109,110,111,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,139,141,142,143);;/q;-1;+3/p-4/t61?,62?,63?,64?,65-,66?,67?,68?,74?,86?,87?,88?;;/m0../s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.30n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line

J Med Chem 45: 3048-56 (2002)


BindingDB Entry DOI: 10.7270/Q2WQ034Z
More data for this
Ligand-Target Pair