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BDBM91761 CS19

SMILES: CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O

InChI Key: InChIKey=MYHBMTAGTIOCHM-UHFFFAOYSA-N

Data: 5 Kd  2 Koff  2 Kon

PDB links: 1 PDB ID matches this monomer.

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 9 hits for monomerid = 91761   
Target
(Institution)
LigandTarget
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
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM91761
PNG
(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
PDB
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Article
n/an/an/a 229n/an/an/a7.525



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM91761
PNG
(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
PDB
MMDB

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Article
n/an/an/a 5.80E+3n/an/an/a7.525



CSAR



Assay Description
Thermofluor


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91761
PNG
(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
MMDB

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Article
n/an/an/a 62n/an/an/a7.525



CSAR



Assay Description
OctetRed


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM91761
PNG
(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
PDB
MMDB

NCI pathway
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KEGG

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PDB
D3R
n/an/an/a 229n/an/an/an/an/a



D3R



Assay Description
OctetRed_Method1


D3R 220: (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM91761
PNG
(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
PDB
MMDB

NCI pathway
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KEGG

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PDB
D3R
n/an/an/an/an/a 0.00700n/an/an/a



D3R



Assay Description
OctetRed_Method3


D3R 219: (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM91761
PNG
(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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PDB
D3R
n/an/an/a 61.7n/an/an/an/an/a



D3R



Assay Description
OctetRed_Method2


D3R 219: (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM91761
PNG
(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PDB
D3R
n/an/an/an/an/a 0.0201n/an/an/a



D3R



Assay Description
OctetRed_Method3


D3R 220: (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM91761
PNG
(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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Similars

AffyNet 
PDB
D3R
n/an/an/an/an/an/a 1.37E+5n/an/a



D3R



Assay Description
OctetRed_Method3


D3R 219: (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM91761
PNG
(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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MMDB
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PC sid
PDB
UniChem

Similars

AffyNet 
PDB
D3R
n/an/an/an/an/an/a 1.75E+5n/an/a



D3R



Assay Description
OctetRed_Method3


D3R 220: (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)