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BDBM225896 MAP15::US9592235, Example 272

SMILES: Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1

InChI Key: InChIKey=NUOOXGXOVSCCHC-UHFFFAOYNA-N

Data: 2 KI  6 IC50

PDB links: 2 PDB IDs match 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 = 225896   
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
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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D3R
10.7n/a 12.1n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)


BindingDB Entry DOI: 10.7270/Q2R49PN1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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D3R
10.7n/a 12.1n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)


BindingDB Entry DOI: 10.7270/Q2R49PN1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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n/an/a 6.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research





J Med Chem 46: 3709-27 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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US Patent
n/an/a 6.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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n/an/a 12.1n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research





J Med Chem 46: 3709-27 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research





J Med Chem 46: 3709-27 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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US Patent
n/an/a 6.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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US Patent
n/an/a 6.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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US Patent
n/an/a 6.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)