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BDBM50141022 1N-(1-carbamoyl-2-hydroxypropyl)-7-[3-amino(imino)methylaminopropyl]-16-(1-amino-2-phenylethylcarboxamido)-10-benzyl-4-(1H-3-indolylmethyl)-13-(2-methyl-1H-5-imidazolylmethyl)-3,6,9,12,15,19-hexaoxo-2,5,8,11,14,20-hexaazacyclotetracosane-1-carbox::CHEMBL427814

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O

InChI Key: InChIKey=JYZUNUUQCBCNGE-IMBOPAGWSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141022   
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))
BDBM50141022
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-7-[3-amino(imino)...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C57H76N16O10/c1-32(74)48(49(59)76)73-53(80)41-20-11-12-24-62-47(75)23-22-43(67-50(77)39(58)26-34-14-5-3-6-15-34)52(79)72-46(29-37-31-64-33(2)66-37)56(83)70-44(27-35-16-7-4-8-17-35)54(81)69-42(21-13-25-63-57(60)61)51(78)71-45(55(82)68-41)28-36-30-65-40-19-10-9-18-38(36)40/h3-10,14-19,30-32,39,41-46,48,65,74H,11-13,20-29,58H2,1-2H3,(H2,59,76)(H,62,75)(H,64,66)(H,67,77)(H,68,82)(H,69,81)(H,70,83)(H,71,78)(H,72,79)(H,73,80)(H4,60,61,63)/t32-,39-,41-,42+,43+,44+,45-,46+,48+/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration required for maximum agonist response at melanocortin 1 receptor from frog skin.


J Med Chem 47: 1514-26 (2004)


Article DOI: 10.1021/jm030452x
BindingDB Entry DOI: 10.7270/Q2XP75PK
More data for this
Ligand-Target Pair