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BDBM50164424 3-(4-Chloro-phenyl)-3-(2-dimethylamino-ethyl)-isochroman-1-one::3-(4-chlorophenyl)-3-(2-(dimethylamino)ethyl)isochroman-1-one::CHEMBL192359

SMILES: CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1

InChI Key: InChIKey=HIVBATDUVFEJFZ-UHFFFAOYSA-N

Data: 7 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50164424   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urotensin II receptor


(Homo sapiens (Human))
BDBM50164424
PNG
(3-(4-Chloro-phenyl)-3-(2-dimethylamino-ethyl)-isoc...)
Show SMILES CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
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n/an/an/an/a 300n/an/an/an/a



Università di Napoli Federico II

Curated by ChEMBL


Assay Description
Agonist activity for human Urotensin 2 receptor


J Med Chem 48: 2480-92 (2005)


Article DOI: 10.1021/jm049110x
BindingDB Entry DOI: 10.7270/Q2ZK5G53
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50164424
PNG
(3-(4-Chloro-phenyl)-3-(2-dimethylamino-ethyl)-isoc...)
Show SMILES CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
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n/an/an/an/a 250n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human urotensin 2 expressed in CHO cells by FLIPR


J Med Chem 53: 2695-708 (2010)


Article DOI: 10.1021/jm901294u
BindingDB Entry DOI: 10.7270/Q20G3K9N
More data for this
Ligand-Target Pair
Urotensin-2


(Homo sapiens (Human))
BDBM50164424
PNG
(3-(4-Chloro-phenyl)-3-(2-dimethylamino-ethyl)-isoc...)
Show SMILES CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
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n/an/an/an/a 1.12E+3n/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...


Bioorg Med Chem 18: 4844-54 (2011)


Article DOI: 10.1016/j.bmc.2010.04.041
BindingDB Entry DOI: 10.7270/Q2PG1SZ3
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50164424
PNG
(3-(4-Chloro-phenyl)-3-(2-dimethylamino-ethyl)-isoc...)
Show SMILES CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
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n/an/an/an/a 251n/an/an/an/a



ACADIA Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Potency against human Urotensin 2 receptor


J Med Chem 45: 4950-3 (2002)


Article DOI: 10.1021/jm025551+
BindingDB Entry DOI: 10.7270/Q22J6FK1
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50164424
PNG
(3-(4-Chloro-phenyl)-3-(2-dimethylamino-ethyl)-isoc...)
Show SMILES CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
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n/an/an/an/a 200n/an/an/an/a



ACADIA Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Potency against rat Urotensin 2 receptor


J Med Chem 45: 4950-3 (2002)


Article DOI: 10.1021/jm025551+
BindingDB Entry DOI: 10.7270/Q22J6FK1
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50164424
PNG
(3-(4-Chloro-phenyl)-3-(2-dimethylamino-ethyl)-isoc...)
Show SMILES CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
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KEGG

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CHEMBL
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PubMed
n/an/an/an/a 316n/an/an/an/a



ACADIA Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Potency against human Urotensin 2 receptor


J Med Chem 45: 4950-3 (2002)


Article DOI: 10.1021/jm025551+
BindingDB Entry DOI: 10.7270/Q22J6FK1
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50164424
PNG
(3-(4-Chloro-phenyl)-3-(2-dimethylamino-ethyl)-isoc...)
Show SMILES CN(C)CCC1(Cc2ccccc2C(=O)O1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3
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UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a 1.12E+3n/an/an/an/a



G£teborg University

Curated by ChEMBL


Assay Description
Activity against human urotensin-2 receptor expressed in NIH3T3 cells


J Med Chem 49: 2232-40 (2006)


Article DOI: 10.1021/jm051121i
BindingDB Entry DOI: 10.7270/Q24Q7XQB
More data for this
Ligand-Target Pair