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BDBM50297297 (S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)-5-(3-nitroguanidino)pentanoate::CHEMBL564083

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)c1nc2ccccc2[nH]1

InChI Key: InChIKey=GWTTXLQUCWNILJ-FMYROPPKSA-N

Data: 2 KI  1 IC50

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

Found 3 hits for monomerid = 50297297   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50297297
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)c1nc2ccccc2[nH]1 |r,w:31.33|
Show InChI InChI=1S/C34H39N9O6/c1-19-14-23(44)15-20(2)24(19)17-25(35)33(47)42-18-22-9-4-3-8-21(22)16-29(42)32(46)40-28(12-7-13-37-34(36)41-43(48)49)30(45)31-38-26-10-5-6-11-27(26)39-31/h3-6,8-11,14-15,25,28-29,44H,7,12-13,16-18,35H2,1-2H3,(H,38,39)(H,40,46)(H3,36,37,41)/t25-,28-,29-/m0/s1
PDB

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B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0650n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50297297
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)c1nc2ccccc2[nH]1 |r,w:31.33|
Show InChI InChI=1S/C34H39N9O6/c1-19-14-23(44)15-20(2)24(19)17-25(35)33(47)42-18-22-9-4-3-8-21(22)16-29(42)32(46)40-28(12-7-13-37-34(36)41-43(48)49)30(45)31-38-26-10-5-6-11-27(26)39-31/h3-6,8-11,14-15,25,28-29,44H,7,12-13,16-18,35H2,1-2H3,(H,38,39)(H,40,46)(H3,36,37,41)/t25-,28-,29-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0950n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297297
PNG
((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)c1nc2ccccc2[nH]1 |r,w:31.33|
Show InChI InChI=1S/C34H39N9O6/c1-19-14-23(44)15-20(2)24(19)17-25(35)33(47)42-18-22-9-4-3-8-21(22)16-29(42)32(46)40-28(12-7-13-37-34(36)41-43(48)49)30(45)31-38-26-10-5-6-11-27(26)39-31/h3-6,8-11,14-15,25,28-29,44H,7,12-13,16-18,35H2,1-2H3,(H,38,39)(H,40,46)(H3,36,37,41)/t25-,28-,29-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 106n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...


J Med Chem 52: 5556-9 (2009)


Article DOI: 10.1021/jm900686q
BindingDB Entry DOI: 10.7270/Q23X86PB
More data for this
Ligand-Target Pair