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BDBM50213512 5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)piperidin-1-yl)cyclohexyl)-2-methoxybenzenesulfonamide::CHEMBL388897

SMILES: COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1

InChI Key: InChIKey=CQABPCACTMBCQC-SZPZYZBQSA-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 = 50213512   
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))
BDBM50213512
PNG
(5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)pip...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1
Show InChI InChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3/t21-,22+
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Article
PubMed
1.30n/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: 3930-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.098
BindingDB Entry DOI: 10.7270/Q2639PF1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50213512
PNG
(5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)pip...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1
Show InChI InChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3/t21-,22+
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Article
PubMed
2.60n/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: 3930-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.098
BindingDB Entry DOI: 10.7270/Q2639PF1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50213512
PNG
(5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)pip...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1
Show InChI InChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3/t21-,22+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
82n/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: 3930-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.098
BindingDB Entry DOI: 10.7270/Q2639PF1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213512
PNG
(5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)pip...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1
Show InChI InChI=1S/C27H35ClN2O4S/c1-33-26-13-6-20(28)18-27(26)35(31,32)29-21-7-9-22(10-8-21)30-16-14-19(15-17-30)24-4-2-3-5-25(24)34-23-11-12-23/h2-6,13,18-19,21-23,29H,7-12,14-17H2,1H3/t21-,22+
Reactome pathway
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Article
PubMed
129n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor


Bioorg Med Chem Lett 17: 3930-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.098
BindingDB Entry DOI: 10.7270/Q2639PF1
More data for this
Ligand-Target Pair