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SMILES: CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C

InChI Key: InChIKey=CCMLBTWPLDKEBS-KKFHFHRHSA-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 = 50358240   
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))
BDBM50358240
PNG
(CHEMBL1922215)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m0/s1
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Article
PubMed
n/an/a 3.00E+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))
BDBM50358240
PNG
(CHEMBL1922215)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m0/s1
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Article
PubMed
n/an/a 3.40E+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))
BDBM50358240
PNG
(CHEMBL1922215)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.80E+4n/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