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BDBM50223565 3,4-dimethoxy-N-((1s,4s)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide::CHEMBL438673

SMILES: COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F

InChI Key: InChIKey=KBDQCTAMVLZQJL-BGYRXZFFSA-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 = 50223565   
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


(Homo sapiens (Human))
BDBM50223565
PNG
(3,4-dimethoxy-N-((1s,4s)-4-(4-(2-(2,2,2-trifluoroe...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N3O5S/c1-35-24-12-11-21(17-25(24)36-2)38(33,34)30-19-7-9-20(10-8-19)31-13-15-32(16-14-31)22-5-3-4-6-23(22)37-18-26(27,28)29/h3-6,11-12,17,19-20,30H,7-10,13-16,18H2,1-2H3/t19-,20+
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Article
PubMed
0.350n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor


Bioorg Med Chem Lett 17: 6123-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.051
BindingDB Entry DOI: 10.7270/Q2C82925
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50223565
PNG
(3,4-dimethoxy-N-((1s,4s)-4-(4-(2-(2,2,2-trifluoroe...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N3O5S/c1-35-24-12-11-21(17-25(24)36-2)38(33,34)30-19-7-9-20(10-8-19)31-13-15-32(16-14-31)22-5-3-4-6-23(22)37-18-26(27,28)29/h3-6,11-12,17,19-20,30H,7-10,13-16,18H2,1-2H3/t19-,20+
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1a receptor


Bioorg Med Chem Lett 17: 6123-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.051
BindingDB Entry DOI: 10.7270/Q2C82925
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50223565
PNG
(3,4-dimethoxy-N-((1s,4s)-4-(4-(2-(2,2,2-trifluoroe...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N3O5S/c1-35-24-12-11-21(17-25(24)36-2)38(33,34)30-19-7-9-20(10-8-19)31-13-15-32(16-14-31)22-5-3-4-6-23(22)37-18-26(27,28)29/h3-6,11-12,17,19-20,30H,7-10,13-16,18H2,1-2H3/t19-,20+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
86n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1b receptor


Bioorg Med Chem Lett 17: 6123-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.051
BindingDB Entry DOI: 10.7270/Q2C82925
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223565
PNG
(3,4-dimethoxy-N-((1s,4s)-4-(4-(2-(2,2,2-trifluoroe...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N3O5S/c1-35-24-12-11-21(17-25(24)36-2)38(33,34)30-19-7-9-20(10-8-19)31-13-15-32(16-14-31)22-5-3-4-6-23(22)37-18-26(27,28)29/h3-6,11-12,17,19-20,30H,7-10,13-16,18H2,1-2H3/t19-,20+
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Article
PubMed
192n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D2 receptor


Bioorg Med Chem Lett 17: 6123-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.051
BindingDB Entry DOI: 10.7270/Q2C82925
More data for this
Ligand-Target Pair