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BDBM50211329 CHEMBL234649::N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)(phenyl)methanesulfonamide

SMILES: CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=OCDNDDLEORDHLQ-PSWAGMNNSA-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 = 50211329   
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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50211329
PNG
(CHEMBL234649 | N-((1s,4s)-4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H37N3O3S/c1-21(2)32-26-11-7-6-10-25(26)29-18-16-28(17-19-29)24-14-12-23(13-15-24)27-33(30,31)20-22-8-4-3-5-9-22/h3-11,21,23-24,27H,12-20H2,1-2H3/t23-,24+
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1A receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.008
BindingDB Entry DOI: 10.7270/Q2PG1RDH
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50211329
PNG
(CHEMBL234649 | N-((1s,4s)-4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H37N3O3S/c1-21(2)32-26-11-7-6-10-25(26)29-18-16-28(17-19-29)24-14-12-23(13-15-24)27-33(30,31)20-22-8-4-3-5-9-22/h3-11,21,23-24,27H,12-20H2,1-2H3/t23-,24+
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Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1D receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.008
BindingDB Entry DOI: 10.7270/Q2PG1RDH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50211329
PNG
(CHEMBL234649 | N-((1s,4s)-4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H37N3O3S/c1-21(2)32-26-11-7-6-10-25(26)29-18-16-28(17-19-29)24-14-12-23(13-15-24)27-33(30,31)20-22-8-4-3-5-9-22/h3-11,21,23-24,27H,12-20H2,1-2H3/t23-,24+
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PubMed
24n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.008
BindingDB Entry DOI: 10.7270/Q2PG1RDH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50211329
PNG
(CHEMBL234649 | N-((1s,4s)-4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H37N3O3S/c1-21(2)32-26-11-7-6-10-25(26)29-18-16-28(17-19-29)24-14-12-23(13-15-24)27-33(30,31)20-22-8-4-3-5-9-22/h3-11,21,23-24,27H,12-20H2,1-2H3/t23-,24+
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Article
PubMed
82n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1B receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.008
BindingDB Entry DOI: 10.7270/Q2PG1RDH
More data for this
Ligand-Target Pair