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BDBM253947 US9464092, MM::US9527857, MM

SMILES: C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1

InChI Key: InChIKey=STJKLSZICWMZSS-ZTNWLKKQNA-N

Data: 9 IC50

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 = 253947   
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/s2
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n/an/a 1.80n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/s2
PDB

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.39E+3n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/s2
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n/an/a 597n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/s2
PDB

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.39E+3n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/s2
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n/an/a 597n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/s2
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n/an/a 1.80n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/s2
PDB

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.39E+3n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/s2
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n/an/a 1.80n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
CDK2/Cyclin A1


(Homo sapiens (Human))
BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/s2
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 597n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair