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BDBM50470044 CHEMBL437814

SMILES: C[C@H](O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)[C@@H](C)O

InChI Key: InChIKey=IHEYIQXRXFGYBM-VJRYJWGJSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470044   
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
Melatonin receptor 1B


(Rattus norvegicus)
BDBM50470044
PNG
(CHEMBL437814)
Show SMILES C[C@H](O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)[C@@H](C)O
Show InChI InChI=1S/C63H89N13O19S2/c1-37(78)48(34-77)70-62(94)50(36-97)72-63(95)56(38(2)79)73-57(89)44(19-11-12-20-64)67-60(92)47(27-41-28-65-43-18-10-9-17-42(41)43)69-59(91)46(26-40-15-7-4-8-16-40)68-61(93)49(35-96)71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88/h3-10,13-18,28,37-38,44-50,56,65,77-79,96-97H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t37-,38+,44-,45+,46-,47+,48-,49-,50-,56-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
UniChem
PubMed
n/an/an/a 5.60n/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Dissociation constant binding to somatostatin receptor of At-20 mouse pituitary carcinoma cell membranes


J Med Chem 37: 3749-57 (1994)

More data for this
Ligand-Target Pair