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BDBM50220788 CHEMBL417954

SMILES: Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1

InChI Key: InChIKey=BVVTZMMHKZWLED-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 = 50220788   
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))
BDBM50220788
PNG
(CHEMBL417954)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H21F5N4O3/c20-13-2-3-15(16(10-13)31-12-19(22,23)24)27-8-6-26(7-9-27)4-1-5-28-17(29)14(21)11-25-18(28)30/h2-3,10-11H,1,4-9,12H2,(H,25,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.251n/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)
BDBM50220788
PNG
(CHEMBL417954)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H21F5N4O3/c20-13-2-3-15(16(10-13)31-12-19(22,23)24)27-8-6-26(7-9-27)4-1-5-28-17(29)14(21)11-25-18(28)30/h2-3,10-11H,1,4-9,12H2,(H,25,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/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
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220788
PNG
(CHEMBL417954)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H21F5N4O3/c20-13-2-3-15(16(10-13)31-12-19(22,23)24)27-8-6-26(7-9-27)4-1-5-28-17(29)14(21)11-25-18(28)30/h2-3,10-11H,1,4-9,12H2,(H,25,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/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