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BDBM50091348 CHEMBL3582272

SMILES: CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1

InChI Key: InChIKey=KDSUSJUAJOGNPC-UHFFFAOYSA-N

Data: 3 KI  3 IC50

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 6 hits for monomerid = 50091348   
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))
BDBM50091348
PNG
(CHEMBL3582272)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
Show InChI InChI=1S/C30H35N9O4/c1-5-37(6-2)21-8-7-19-13-24(29(40)43-25(19)14-21)39-18-20(34-35-39)17-36-9-11-38(12-10-36)30-32-23-16-27(42-4)26(41-3)15-22(23)28(31)33-30/h7-8,13-16,18H,5-6,9-12,17H2,1-4H3,(H2,31,32,33)
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)


Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50091348
PNG
(CHEMBL3582272)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
Show InChI InChI=1S/C30H35N9O4/c1-5-37(6-2)21-8-7-19-13-24(29(40)43-25(19)14-21)39-18-20(34-35-39)17-36-9-11-38(12-10-36)30-32-23-16-27(42-4)26(41-3)15-22(23)28(31)33-30/h7-8,13-16,18H,5-6,9-12,17H2,1-4H3,(H2,31,32,33)
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PubMed
30n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)


Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50091348
PNG
(CHEMBL3582272)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
Show InChI InChI=1S/C30H35N9O4/c1-5-37(6-2)21-8-7-19-13-24(29(40)43-25(19)14-21)39-18-20(34-35-39)17-36-9-11-38(12-10-36)30-32-23-16-27(42-4)26(41-3)15-22(23)28(31)33-30/h7-8,13-16,18H,5-6,9-12,17H2,1-4H3,(H2,31,32,33)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)


Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50091348
PNG
(CHEMBL3582272)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
Show InChI InChI=1S/C30H35N9O4/c1-5-37(6-2)21-8-7-19-13-24(29(40)43-25(19)14-21)39-18-20(34-35-39)17-36-9-11-38(12-10-36)30-32-23-16-27(42-4)26(41-3)15-22(23)28(31)33-30/h7-8,13-16,18H,5-6,9-12,17H2,1-4H3,(H2,31,32,33)
Reactome pathway
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PubMed
n/an/a 52n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)


Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50091348
PNG
(CHEMBL3582272)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
Show InChI InChI=1S/C30H35N9O4/c1-5-37(6-2)21-8-7-19-13-24(29(40)43-25(19)14-21)39-18-20(34-35-39)17-36-9-11-38(12-10-36)30-32-23-16-27(42-4)26(41-3)15-22(23)28(31)33-30/h7-8,13-16,18H,5-6,9-12,17H2,1-4H3,(H2,31,32,33)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)


Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50091348
PNG
(CHEMBL3582272)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
Show InChI InChI=1S/C30H35N9O4/c1-5-37(6-2)21-8-7-19-13-24(29(40)43-25(19)14-21)39-18-20(34-35-39)17-36-9-11-38(12-10-36)30-32-23-16-27(42-4)26(41-3)15-22(23)28(31)33-30/h7-8,13-16,18H,5-6,9-12,17H2,1-4H3,(H2,31,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)


Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM
More data for this
Ligand-Target Pair