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BDBM50124777 (S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-(carbamoylmethyl-carbamoyl)-2-naphthalen-1-yl-ethyl]-amide::CHEMBL2112917

SMILES: CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(N)=O

InChI Key: InChIKey=LYWDDHWBHODLCZ-FKWFRFQNSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50124777   
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


(Homo sapiens (Human))
BDBM50124777
PNG
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H47Cl2N11O6/c1-2-7-31(51)46-29(17-23-18-42-20-45-23)35(55)49-28(15-21-8-4-3-5-9-21)34(54)47-26(10-6-13-43-36(40)41)33(53)48-27(32(52)44-19-30(39)50)16-22-11-12-24(37)25(38)14-22/h3-5,8-9,11-12,14,18,20,26-29H,2,6-7,10,13,15-17,19H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)(H4,40,41,43)/t26-,27-,28+,29-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair