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BDBM50220746 CHEMBL292189

SMILES: Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C

InChI Key: InChIKey=NJLNPETVWRAQNN-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50220746   
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
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0398n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair