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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI Key: InChIKey=HZIGYJWTYPQYBQ-HNWSMCQVSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50469383   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50469383
PNG
(CHEMBL4280750)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C54H70N12O11/c1-31-25-36(67)26-32(2)37(31)30-38(55)47(70)61-39(19-12-24-60-54(58)59)48(71)64-44(29-35-17-10-5-11-18-35)52(75)66-42(27-33-13-6-3-7-14-33)50(73)62-40(20-22-45(56)68)49(72)65-43(28-34-15-8-4-9-16-34)51(74)63-41(53(76)77)21-23-46(57)69/h3-11,13-18,25-26,38-44,67H,12,19-24,27-30,55H2,1-2H3,(H2,56,68)(H2,57,69)(H,61,70)(H,62,73)(H,63,74)(H,64,71)(H,65,72)(H,66,75)(H,76,77)(H4,58,59,60)/t38-,39+,40-,41-,42-,43-,44-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 61: 9784-9789 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50469383
PNG
(CHEMBL4280750)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C54H70N12O11/c1-31-25-36(67)26-32(2)37(31)30-38(55)47(70)61-39(19-12-24-60-54(58)59)48(71)64-44(29-35-17-10-5-11-18-35)52(75)66-42(27-33-13-6-3-7-14-33)50(73)62-40(20-22-45(56)68)49(72)65-43(28-34-15-8-4-9-16-34)51(74)63-41(53(76)77)21-23-46(57)69/h3-11,13-18,25-26,38-44,67H,12,19-24,27-30,55H2,1-2H3,(H2,56,68)(H2,57,69)(H,61,70)(H,62,73)(H,63,74)(H,64,71)(H,65,72)(H,66,75)(H,76,77)(H4,58,59,60)/t38-,39+,40-,41-,42-,43-,44-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 48n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


J Med Chem 61: 9784-9789 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q
More data for this
Ligand-Target Pair