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BDBM50358225 CHEMBL1922199

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

InChI Key: InChIKey=CVIBDXQYFNZNMA-BZSJEYESSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50358225   
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 7 (CDK7)


(Homo sapiens (Human))
BDBM50358225
PNG
(CHEMBL1922199)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m1/s1
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Article
PubMed
n/an/a 390n/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 1 (CDK1)


(Homo sapiens (Human))
BDBM50358225
PNG
(CHEMBL1922199)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m1/s1
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Article
PubMed
n/an/a 1.80E+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))
BDBM50358225
PNG
(CHEMBL1922199)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 4.30E+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