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SMILES: Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12

InChI Key: InChIKey=YHGQVXFIJGWOFP-UHFFFAOYSA-N

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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 = 50287722   
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-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50287722
PNG
(CHEMBL436760 | [4-(6-Bromo-1H-indol-3-yl)-1H-imida...)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)
UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
740n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster Alpha-1b adrenergic receptor by displacing [125I]-HEAT (2-...


Bioorg Med Chem Lett 6: 2103-2106 (1996)


Article DOI: 10.1016/0960-894X(96)00376-9
BindingDB Entry DOI: 10.7270/Q2SJ1KMR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50287722
PNG
(CHEMBL436760 | [4-(6-Bromo-1H-indol-3-yl)-1H-imida...)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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UniChem

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Article
1.26E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards CHO cells expressing human Alpha-1a adrenergic receptor by displacing [125I]-HEAT (2-beta-(4-hyd...


Bioorg Med Chem Lett 6: 2103-2106 (1996)


Article DOI: 10.1016/0960-894X(96)00376-9
BindingDB Entry DOI: 10.7270/Q2SJ1KMR
More data for this
Ligand-Target Pair
Sortase family protein


(Staphylococcus aureus)
BDBM50287722
PNG
(CHEMBL436760 | [4-(6-Bromo-1H-indol-3-yl)-1H-imida...)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.03E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory activity against Sortase A from Staphylococcus aureus


Bioorg Med Chem Lett 15: 4927-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.021
BindingDB Entry DOI: 10.7270/Q2QN69HD
More data for this
Ligand-Target Pair