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BDBM50115291 CHEMBL269739::DOTA-ReCCEHdFRWCKPV-NH2

SMILES: CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCN)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(N)=O

InChI Key: InChIKey=PHXHGBSXRGQTMA-PLUDOMBVSA-J

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50115291   
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)		BDBM50115291
PNG
(CHEMBL269739 | DOTA-ReCCEHdFRWCKPV-NH2)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCN)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(N)=O
Show InChI InChI=1S/C75H111N23O20S3.O.Re/c1-42(2)60(61(77)108)91-67(114)54-18-11-23-98(54)74(118)50(16-8-9-21-76)86-69(116)72(120)92-66(113)52(33-44-35-82-47-15-7-6-14-46(44)47)88-62(109)48(17-10-22-81-75(78)79)84-64(111)51(32-43-12-4-3-5-13-43)87-65(112)53(34-45-36-80-41-83-45)89-63(110)49(19-20-56(100)101)85-68(115)73(121)93-70(117)71(119)90-55(99)37-94-24-26-95(38-57(102)103)28-30-97(40-59(106)107)31-29-96(27-25-94)39-58(104)105;;/h3-7,12-15,35-36,41-42,48-54,60,71-73,82H,8-11,16-34,37-40,76H2,1-2H3,(H24,77,78,79,80,81,83,84,85,86,87,88,89,90,91,92,93,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,119,120,121);;/q;-1;+3/p-4/t48?,49?,50?,51-,52?,53?,54?,60?,71?,72?,73?;;/m0../s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20n/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