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BDBM50203481 2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2H-benzo[e]isoindole-1,3-dione::CHEMBL243864

SMILES: CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O

InChI Key: InChIKey=DJGBDGBJUAFKHX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50203481   
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
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50203481
PNG
(2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O
Show InChI InChI=1S/C31H35N3O3/c1-21(2)37-28-10-6-5-9-27(28)33-19-17-32(18-20-33)23-12-14-24(15-13-23)34-30(35)26-16-11-22-7-3-4-8-25(22)29(26)31(34)36/h3-11,16,21,23-24H,12-15,17-20H2,1-2H3
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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.111
BindingDB Entry DOI: 10.7270/Q2PG1RC2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50203481
PNG
(2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O
Show InChI InChI=1S/C31H35N3O3/c1-21(2)37-28-10-6-5-9-27(28)33-19-17-32(18-20-33)23-12-14-24(15-13-23)34-30(35)26-16-11-22-7-3-4-8-25(22)29(26)31(34)36/h3-11,16,21,23-24H,12-15,17-20H2,1-2H3
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PC sid
UniChem

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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.111
BindingDB Entry DOI: 10.7270/Q2PG1RC2
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50203481
PNG
(2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O
Show InChI InChI=1S/C31H35N3O3/c1-21(2)37-28-10-6-5-9-27(28)33-19-17-32(18-20-33)23-12-14-24(15-13-23)34-30(35)26-16-11-22-7-3-4-8-25(22)29(26)31(34)36/h3-11,16,21,23-24H,12-15,17-20H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.111
BindingDB Entry DOI: 10.7270/Q2PG1RC2
More data for this
Ligand-Target Pair