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BDBM253942 US9464092, HH::US9527857, HH

SMILES: O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21

InChI Key: InChIKey=SZRKXCASACKTFU-UHFFFAOYSA-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 = 253942   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 1.70n/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))
BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 1.28E+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))
BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 265n/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))
BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 1.28E+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))
BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 265n/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))
BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 1.70n/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))
BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 1.28E+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))
BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 1.70n/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))
BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
PDB

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UniProtKB/SwissProt
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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 265n/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