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BDBM50115293 CHEMBL436773::DOTA-ReCCEHdFRWCKPV-OH

SMILES: CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)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)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(O)=O

InChI Key: InChIKey=CMUJPXXDGMXQBB-RPGUOOQVSA-J

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50115293   
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)		BDBM50115293
PNG
(CHEMBL436773 | DOTA-ReCCEHdFRWCKPV-OH)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)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)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(O)=O
Show InChI InChI=1S/C75H110N24O21S3.O.Re/c1-41(2)59(73(119)120)92-65(114)53-17-10-22-99(53)72(118)49(16-9-21-82-75(78)79)87-67(116)70(122)93-64(113)51(32-43-34-83-46-14-7-6-13-45(43)46)89-60(109)47(15-8-20-81-74(76)77)85-62(111)50(31-42-11-4-3-5-12-42)88-63(112)52(33-44-35-80-40-84-44)90-61(110)48(18-19-55(101)102)86-66(115)71(123)94-68(117)69(121)91-54(100)36-95-23-25-96(37-56(103)104)27-29-98(39-58(107)108)30-28-97(26-24-95)38-57(105)106;;/h3-7,11-14,34-35,40-41,47-53,59,69-71,83H,8-10,15-33,36-39H2,1-2H3,(H27,76,77,78,79,80,81,82,84,85,86,87,88,89,90,91,92,93,94,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,119,120,121,122,123);;/q;-1;+3/p-4/t47?,48?,49?,50-,51?,52?,53?,59?,69?,70?,71?;;/m0../s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.160n/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