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BDBM50123655 3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-methyl-N-phenyl-benzamide::CHEMBL345683

SMILES: C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2)[C@@H](C)CN1CC=C

InChI Key: InChIKey=FBSHJXXGQSOOEU-AFKLWXAFSA-N

Data: 2 KI

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 2 hits for monomerid = 50123655   
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))
BDBM50123655
PNG
(3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2)[C@@H](C)CN1CC=C
Show InChI InChI=1S/C30H35N3O2/c1-5-17-32-20-23(3)33(21-22(32)2)29(25-12-10-16-28(34)19-25)24-11-9-13-26(18-24)30(35)31(4)27-14-7-6-8-15-27/h5-16,18-19,22-23,29,34H,1,17,20-21H2,2-4H3/t22-,23+,29+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
1.06n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain


J Med Chem 46: 623-33 (2003)


Article DOI: 10.1021/jm020395s
BindingDB Entry DOI: 10.7270/Q2DZ0915
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50123655
PNG
(3-[(S)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES C[C@@H]1CN([C@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2)[C@@H](C)CN1CC=C
Show InChI InChI=1S/C30H35N3O2/c1-5-17-32-20-23(3)33(21-22(32)2)29(25-12-10-16-28(34)19-25)24-11-9-13-26(18-24)30(35)31(4)27-14-7-6-8-15-27/h5-16,18-19,22-23,29,34H,1,17,20-21H2,2-4H3/t22-,23+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.55n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain


J Med Chem 46: 623-33 (2003)


Article DOI: 10.1021/jm020395s
BindingDB Entry DOI: 10.7270/Q2DZ0915
More data for this
Ligand-Target Pair