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BDBM50207817 5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol::7-bromo-eudistomin D::CHEMBL272185

SMILES: Oc1c(Br)cc2[nH]c3cnccc3c2c1Br

InChI Key: InChIKey=UNIUKKWPGRGSRQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50207817   
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
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Article
PubMed
2.05E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by PDSP Ki Database




Bioorg Med Chem 15: 3235-40 (2007)


Article DOI: 10.1016/j.bmc.2007.02.043
BindingDB Entry DOI: 10.7270/Q28G8J9M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
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Article
PubMed
2.05E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
PDB
MMDB

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Article
PubMed
4.92E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
PDB
MMDB

NCI pathway
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KEGG

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UniChem

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Article
PubMed
4.92E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by PDSP Ki Database




Bioorg Med Chem 15: 3235-40 (2007)


Article DOI: 10.1016/j.bmc.2007.02.043
BindingDB Entry DOI: 10.7270/Q28G8J9M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
PDB

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UniChem

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Article
PubMed
7.37E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.37E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by PDSP Ki Database




Bioorg Med Chem 15: 3235-40 (2007)


Article DOI: 10.1016/j.bmc.2007.02.043
BindingDB Entry DOI: 10.7270/Q28G8J9M
More data for this
Ligand-Target Pair