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BDBM50188164 4-[(2S)-2-amino-3-{[(2S)-1-amino-3-(4-hydroxyphenyl)propan-2-yl]amino}propyl]phenol::CHEMBL213418

SMILES: NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=SPKAVCGLKJPFLA-HOTGVXAUSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50188164   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50188164
PNG
(4-[(2S)-2-amino-3-{[(2S)-1-amino-3-(4-hydroxypheny...)
Show SMILES NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H25N3O2/c19-11-16(10-14-3-7-18(23)8-4-14)21-12-15(20)9-13-1-5-17(22)6-2-13/h1-8,15-16,21-23H,9-12,19-20H2/t15-,16-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.22E+4n/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor


Bioorg Med Chem Lett 16: 4331-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.053
BindingDB Entry DOI: 10.7270/Q2028R47
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50188164
PNG
(4-[(2S)-2-amino-3-{[(2S)-1-amino-3-(4-hydroxypheny...)
Show SMILES NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H25N3O2/c19-11-16(10-14-3-7-18(23)8-4-14)21-12-15(20)9-13-1-5-17(22)6-2-13/h1-8,15-16,21-23H,9-12,19-20H2/t15-,16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.04E+3n/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4331-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.053
BindingDB Entry DOI: 10.7270/Q2028R47
More data for this
Ligand-Target Pair