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BDBM50106431 1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoline-3-carboxylic acid::CHEMBL292700

SMILES: OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1

InChI Key: InChIKey=ZCMFEWUYBFMLIN-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50106431   
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
Insulin-like growth factor binding protein 4


(Homo sapiens (Human))
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Insulin-like growth factor binding protein 4


J Med Chem 44: 4001-10 (2001)


BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 2


(Homo sapiens (Human))
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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PubMed
2.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against insulin-like growth factor binding protein 2


J Med Chem 44: 4001-10 (2001)


BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 1


(Homo sapiens (Human))
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against insulin-like growth factor binding protein 1


J Med Chem 44: 4001-10 (2001)


BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 5


(Homo sapiens (Human))
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Insulin-like growth factor binding protein 5


J Med Chem 44: 4001-10 (2001)


BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens (Human))
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Insulin-like growth factor binding protein 3


J Med Chem 44: 4001-10 (2001)


BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 5


(Homo sapiens (Human))
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)


Bioorg Med Chem Lett 13: 1931-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens (Human))
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 6


(Homo sapiens (Human))
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
PDB
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24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Insulin-like growth factor binding protein 6


J Med Chem 44: 4001-10 (2001)


BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair