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BDBM50375219 CHEMBL258939

SMILES: [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12

InChI Key: InChIKey=BKIACVAZUKISOR-MKMNVTDBSA-N

Data: 4 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 4 hits for monomerid = 50375219   
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
D(1A) dopamine receptor


(RAT)
BDBM50375219
PNG
(CHEMBL258939)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
Show InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
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PubMed
1.42E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat HA-tagged D1 dopamine receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
BindingDB Entry DOI: 10.7270/Q2K64JX6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50375219
PNG
(CHEMBL258939)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
Show InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
BindingDB Entry DOI: 10.7270/Q2K64JX6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50375219
PNG
(CHEMBL258939)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
Show InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
BindingDB Entry DOI: 10.7270/Q2K64JX6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50375219
PNG
(CHEMBL258939)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
Show InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
BindingDB Entry DOI: 10.7270/Q2K64JX6
More data for this
Ligand-Target Pair