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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)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=JZWCCKDQPGYWPH-KJORSWDUSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50469379   
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))
BDBM50469379
PNG
(CHEMBL4284374)
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)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C69H92N16O12/c1-41-34-47(86)35-42(2)48(41)40-49(71)61(90)79-51(27-17-33-77-69(75)76)62(91)82-57(39-46-24-13-6-14-25-46)68(97)85-56(38-45-22-11-5-12-23-45)67(96)81-53(29-31-59(73)88)64(93)84-55(37-44-20-9-4-10-21-44)66(95)80-52(28-30-58(72)87)63(92)83-54(36-43-18-7-3-8-19-43)65(94)78-50(60(74)89)26-15-16-32-70/h3-14,18-25,34-35,49-57,86H,15-17,26-33,36-40,70-71H2,1-2H3,(H2,72,87)(H2,73,88)(H2,74,89)(H,78,94)(H,79,90)(H,80,95)(H,81,96)(H,82,91)(H,83,92)(H,84,93)(H,85,97)(H4,75,76,77)/t49-,50-,51+,52-,53-,54-,55-,56-,57-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.5n/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))
BDBM50469379
PNG
(CHEMBL4284374)
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)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C69H92N16O12/c1-41-34-47(86)35-42(2)48(41)40-49(71)61(90)79-51(27-17-33-77-69(75)76)62(91)82-57(39-46-24-13-6-14-25-46)68(97)85-56(38-45-22-11-5-12-23-45)67(96)81-53(29-31-59(73)88)64(93)84-55(37-44-20-9-4-10-21-44)66(95)80-52(28-30-58(72)87)63(92)83-54(36-43-18-7-3-8-19-43)65(94)78-50(60(74)89)26-15-16-32-70/h3-14,18-25,34-35,49-57,86H,15-17,26-33,36-40,70-71H2,1-2H3,(H2,72,87)(H2,73,88)(H2,74,89)(H,78,94)(H,79,90)(H,80,95)(H,81,96)(H,82,91)(H,83,92)(H,84,93)(H,85,97)(H4,75,76,77)/t49-,50-,51+,52-,53-,54-,55-,56-,57-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 51n/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