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BDBM50293857 1-(1,3-dihydroxypropan-2-yl)-3-(1-((1R,3S,4S)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-ylmethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride::CHEMBL563657

SMILES: OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O

InChI Key: InChIKey=IRPKXQKVWDRXTK-UEXGIBASSA-N

Data: 5 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 5 hits for monomerid = 50293857   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50293857
PNG
(1-(1,3-dihydroxypropan-2-yl)-3-(1-((1R,3S,4S)-spir...)
Show SMILES OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
Show InChI InChI=1S/C25H35N3O3/c29-15-20(16-30)28-23-4-2-1-3-22(23)27(24(28)31)19-7-11-26(12-8-19)14-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human cloned delta opioid receptor expressed in CHO cells


J Med Chem 52: 4091-4 (2009)


Article DOI: 10.1021/jm900581g
BindingDB Entry DOI: 10.7270/Q2V98835
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50293857
PNG
(1-(1,3-dihydroxypropan-2-yl)-3-(1-((1R,3S,4S)-spir...)
Show SMILES OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
Show InChI InChI=1S/C25H35N3O3/c29-15-20(16-30)28-23-4-2-1-3-22(23)27(24(28)31)19-7-11-26(12-8-19)14-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,21-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 4091-4 (2009)


Article DOI: 10.1021/jm900581g
BindingDB Entry DOI: 10.7270/Q2V98835
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50293857
PNG
(1-(1,3-dihydroxypropan-2-yl)-3-(1-((1R,3S,4S)-spir...)
Show SMILES OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
Show InChI InChI=1S/C25H35N3O3/c29-15-20(16-30)28-23-4-2-1-3-22(23)27(24(28)31)19-7-11-26(12-8-19)14-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,21-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 4091-4 (2009)


Article DOI: 10.1021/jm900581g
BindingDB Entry DOI: 10.7270/Q2V98835
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50293857
PNG
(1-(1,3-dihydroxypropan-2-yl)-3-(1-((1R,3S,4S)-spir...)
Show SMILES OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
Show InChI InChI=1S/C25H35N3O3/c29-15-20(16-30)28-23-4-2-1-3-22(23)27(24(28)31)19-7-11-26(12-8-19)14-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,21-/m0/s1
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PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 52: 4091-4 (2009)


Article DOI: 10.1021/jm900581g
BindingDB Entry DOI: 10.7270/Q2V98835
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50293857
PNG
(1-(1,3-dihydroxypropan-2-yl)-3-(1-((1R,3S,4S)-spir...)
Show SMILES OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
Show InChI InChI=1S/C25H35N3O3/c29-15-20(16-30)28-23-4-2-1-3-22(23)27(24(28)31)19-7-11-26(12-8-19)14-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,21-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells


J Med Chem 52: 4091-4 (2009)


Article DOI: 10.1021/jm900581g
BindingDB Entry DOI: 10.7270/Q2V98835
More data for this
Ligand-Target Pair