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BDBM50179193 (S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-N-((1-(cyclopropylmethyl)-1H-benzo[d]imidazol-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL173884

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1

InChI Key: InChIKey=YDJKLKDDLXZINK-FIBWVYCGSA-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50179193   
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))
BDBM50179193
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1
Show InChI InChI=1S/C33H37N5O3/c1-20-13-25(39)14-21(2)26(20)16-27(34)33(41)38-19-24-8-4-3-7-23(24)15-30(38)32(40)35-17-31-36-28-9-5-6-10-29(28)37(31)18-22-11-12-22/h3-10,13-14,22,27,30,39H,11-12,15-19,34H2,1-2H3,(H,35,40)/t27-,30-/m0/s1
PDB

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B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.360n/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))
BDBM50179193
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1
Show InChI InChI=1S/C33H37N5O3/c1-20-13-25(39)14-21(2)26(20)16-27(34)33(41)38-19-24-8-4-3-7-23(24)15-30(38)32(40)35-17-31-36-28-9-5-6-10-29(28)37(31)18-22-11-12-22/h3-10,13-14,22,27,30,39H,11-12,15-19,34H2,1-2H3,(H,35,40)/t27-,30-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.520n/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-type opioid receptor


(GUINEA PIG)
BDBM50179193
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1
Show InChI InChI=1S/C33H37N5O3/c1-20-13-25(39)14-21(2)26(20)16-27(34)33(41)38-19-24-8-4-3-7-23(24)15-30(38)32(40)35-17-31-36-28-9-5-6-10-29(28)37(31)18-22-11-12-22/h3-10,13-14,22,27,30,39H,11-12,15-19,34H2,1-2H3,(H,35,40)/t27-,30-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 64n/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