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SMILES: Cc1nn(c2N=C3C=CC(=CN3C(c12)c1cccnc1)S(=O)(=O)N1CCCCC1)-c1ccccc1

InChI Key: InChIKey=WXIIMGMKPKXCJW-UHFFFAOYSA-N

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 4 hits for monomerid = 44441   
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
Ephrin type-A receptor 4


(Mus musculus)
BDBM44441
PNG
(MLS000098295 | SMR000066971 | cid_2998095)
Show SMILES Cc1nn(c2N=C3C=CC(=CN3C(c12)c1cccnc1)S(=O)(=O)N1CCCCC1)-c1ccccc1 |c:7,9,t:5|
Show InChI InChI=1S/C26H26N6O2S/c1-19-24-25(20-9-8-14-27-17-20)31-18-22(35(33,34)30-15-6-3-7-16-30)12-13-23(31)28-26(24)32(29-19)21-10-4-2-5-11-21/h2,4-5,8-14,17-18,25H,3,6-7,15-16H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM44441
PNG
(MLS000098295 | SMR000066971 | cid_2998095)
Show SMILES Cc1nn(c2N=C3C=CC(=CN3C(c12)c1cccnc1)S(=O)(=O)N1CCCCC1)-c1ccccc1 |c:7,9,t:5|
Show InChI InChI=1S/C26H26N6O2S/c1-19-24-25(20-9-8-14-27-17-20)31-18-22(35(33,34)30-15-6-3-7-16-30)12-13-23(31)28-26(24)32(29-19)21-10-4-2-5-11-21/h2,4-5,8-14,17-18,25H,3,6-7,15-16H2,1H3
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Article
PubMed
n/an/a 1.54E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44441
PNG
(MLS000098295 | SMR000066971 | cid_2998095)
Show SMILES Cc1nn(c2N=C3C=CC(=CN3C(c12)c1cccnc1)S(=O)(=O)N1CCCCC1)-c1ccccc1 |c:7,9,t:5|
Show InChI InChI=1S/C26H26N6O2S/c1-19-24-25(20-9-8-14-27-17-20)31-18-22(35(33,34)30-15-6-3-7-16-30)12-13-23(31)28-26(24)32(29-19)21-10-4-2-5-11-21/h2,4-5,8-14,17-18,25H,3,6-7,15-16H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4


(Mus musculus)
BDBM44441
PNG
(MLS000098295 | SMR000066971 | cid_2998095)
Show SMILES Cc1nn(c2N=C3C=CC(=CN3C(c12)c1cccnc1)S(=O)(=O)N1CCCCC1)-c1ccccc1 |c:7,9,t:5|
Show InChI InChI=1S/C26H26N6O2S/c1-19-24-25(20-9-8-14-27-17-20)31-18-22(35(33,34)30-15-6-3-7-16-30)12-13-23(31)28-26(24)32(29-19)21-10-4-2-5-11-21/h2,4-5,8-14,17-18,25H,3,6-7,15-16H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair