BDBM50167069 CHEMBL3799593

SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1

InChI Key InChIKey=AFWAVLNIGSUCHI-OAHLLOKOSA-N

Data  7 KI  2 EC50

Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50167069   

TargetD(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50167069(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
Affinity DataKi:  200nMAssay Description:Displacement of [3H]spiperone from human D2S receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50167069(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
Affinity DataKi:  240nMAssay Description:Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50167069(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
Affinity DataKi:  350nMAssay Description:Displacement of [3H]spiperone from human D2L receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50167069(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
Affinity DataKi:  430nMAssay Description:Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50167069(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
Affinity DataKi:  610nMAssay Description:Displacement of [3H]spiperone from human D3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50167069(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
Affinity DataKi:  850nMAssay Description:Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Mus musculus)
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50167069(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
Affinity DataKi:  1.50E+3nMAssay Description:Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50167069(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
Affinity DataEC50:  1.40E+3nMAssay Description:Agonist activity at human beta2 receptor expressed in HEK293 cells cotransfected with Gqs5 protein assessed as [3H]IP3 accumulation after 120 mins by...More data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50167069(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
Affinity DataEC50:  2.20E+3nMAssay Description:Agonist activity at PK-tagged beta2 receptor (unknown origin) transfected in HEK293 cells after 90 mins by beta-arrestin assayMore data for this Ligand-Target Pair