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BDBM50088712 4-{[(1S,3S,5R)-8-(Benzo[1,3]dioxole-5-carbonyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-phenyl-amino}-N,N-diethyl-benzamide::CHEMBL13479

SMILES: CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2OCOc2c1)c1ccccc1

InChI Key: InChIKey=LNQWNAMARSQTEL-OUOZDZGXSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50088712   
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))
BDBM50088712
PNG
(4-{[(1S,3S,5R)-8-(Benzo[1,3]dioxole-5-carbonyl)-8-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2OCOc2c1)c1ccccc1 |THB:22:21:14.15.20:18.17|
Show InChI InChI=1S/C32H35N3O4/c1-3-33(4-2)31(36)22-10-13-25(14-11-22)34(24-8-6-5-7-9-24)28-19-26-15-16-27(20-28)35(26)32(37)23-12-17-29-30(18-23)39-21-38-29/h5-14,17-18,26-28H,3-4,15-16,19-21H2,1-2H3/t26-,27+,28-
PDB

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B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.200n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE radioligand binding to rat opioid receptor delta 1 site from rat brain membranes


Bioorg Med Chem Lett 10: 1109-11 (2000)


BindingDB Entry DOI: 10.7270/Q2X0668B
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50088712
PNG
(4-{[(1S,3S,5R)-8-(Benzo[1,3]dioxole-5-carbonyl)-8-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2OCOc2c1)c1ccccc1 |THB:22:21:14.15.20:18.17|
Show InChI InChI=1S/C32H35N3O4/c1-3-33(4-2)31(36)22-10-13-25(14-11-22)34(24-8-6-5-7-9-24)28-19-26-15-16-27(20-28)35(26)32(37)23-12-17-29-30(18-23)39-21-38-29/h5-14,17-18,26-28H,3-4,15-16,19-21H2,1-2H3/t26-,27+,28-
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
172n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from rat brain membranes


Bioorg Med Chem Lett 10: 1109-11 (2000)


BindingDB Entry DOI: 10.7270/Q2X0668B
More data for this
Ligand-Target Pair