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BDBM50366800 OLOMOUCINE II

SMILES: CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=NDUVSANREQEDRE-CQSZACIVSA-N

Data: 3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50366800   
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 B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens-Homo sapiens (human))
BDBM50366800
PNG
(OLOMOUCINE II)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 12: 3283-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00693-5
BindingDB Entry DOI: 10.7270/Q2FT8MK1
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50366800
PNG
(OLOMOUCINE II)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/an/an/a 8.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50366800
PNG
(OLOMOUCINE II)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50366800
PNG
(OLOMOUCINE II)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 815n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair