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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50113694   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2


(Homo sapiens (Human))		BDBM50113694
PNG
(3-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)
Show SMILES COc1ccc(CNc2nc(NCC(O)CO)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C19H26N6O3/c1-12(2)25-11-22-16-17(20-8-13-4-6-15(28-3)7-5-13)23-19(24-18(16)25)21-9-14(27)10-26/h4-7,11-12,14,26-27H,8-10H2,1-3H3,(H2,20,21,23,24)
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Article
n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E

Bioorg Med Chem Lett 7: 2697-2702 (1997)


Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50113694
PNG
(3-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)
Show SMILES COc1ccc(CNc2nc(NCC(O)CO)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C19H26N6O3/c1-12(2)25-11-22-16-17(20-8-13-4-6-15(28-3)7-5-13)23-19(24-18(16)25)21-9-14(27)10-26/h4-7,11-12,14,26-27H,8-10H2,1-3H3,(H2,20,21,23,24)
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n/an/a 1.30E+6n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)

J Med Chem 45: 2366-78 (2002)


BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair