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SMILES: CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O

InChI Key: InChIKey=OPOKLUOSXLQAIT-HNNXBMFYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50358234   
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-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50358234
PNG
(CHEMBL1921805)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
BindingDB Entry DOI: 10.7270/Q2NP24V1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50358234
PNG
(CHEMBL1921805)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
BindingDB Entry DOI: 10.7270/Q2NP24V1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358234
PNG
(CHEMBL1921805)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
BindingDB Entry DOI: 10.7270/Q2NP24V1
More data for this
Ligand-Target Pair