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BDBM50179188 (S)-N-((1-(2-amino-2-oxoethyl)-1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL322300

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O

InChI Key: InChIKey=OUJSALASYUKUMI-IGKIAQTJSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50179188   
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))
BDBM50179188
PNG
((S)-N-((1-(2-amino-2-oxoethyl)-1H-benzo[d]imidazol...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O
Show InChI InChI=1S/C31H34N6O4/c1-18-11-22(38)12-19(2)23(18)14-24(32)31(41)37-16-21-8-4-3-7-20(21)13-27(37)30(40)34-15-29-35-25-9-5-6-10-26(25)36(29)17-28(33)39/h3-12,24,27,38H,13-17,32H2,1-2H3,(H2,33,39)(H,34,40)/t24-,27-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50179188
PNG
((S)-N-((1-(2-amino-2-oxoethyl)-1H-benzo[d]imidazol...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O
Show InChI InChI=1S/C31H34N6O4/c1-18-11-22(38)12-19(2)23(18)14-24(32)31(41)37-16-21-8-4-3-7-20(21)13-27(37)30(40)34-15-29-35-25-9-5-6-10-26(25)36(29)17-28(33)39/h3-12,24,27,38H,13-17,32H2,1-2H3,(H2,33,39)(H,34,40)/t24-,27-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
0.490n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor in brain P2 synaptosomes


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50179188
PNG
((S)-N-((1-(2-amino-2-oxoethyl)-1H-benzo[d]imidazol...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O
Show InChI InChI=1S/C31H34N6O4/c1-18-11-22(38)12-19(2)23(18)14-24(32)31(41)37-16-21-8-4-3-7-20(21)13-27(37)30(40)34-15-29-35-25-9-5-6-10-26(25)36(29)17-28(33)39/h3-12,24,27,38H,13-17,32H2,1-2H3,(H2,33,39)(H,34,40)/t24-,27-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Functional bioactivity against mu opioid receptor in guinea-pig ileum


J Med Chem 48: 8112-4 (2005)


Article DOI: 10.1021/jm058259l
BindingDB Entry DOI: 10.7270/Q24J0DQR
More data for this
Ligand-Target Pair