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BDBM50261171 CHEMBL4097273

SMILES: Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCN(C3)C(=O)OC(C)(C)C)ncnc12

InChI Key: InChIKey=JVBBIRRNOTZXJG-AYHJJNSGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50261171   
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 5 (CDK5)


(Homo sapiens (Human))		BDBM50261171
PNG
(CHEMBL4097273)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCN(C3)C(=O)OC(C)(C)C)ncnc12 |r,wU:10.10,12.15,(31.06,-13.58,;29.98,-14.67,;28.49,-14.27,;27.4,-15.36,;27.8,-16.85,;29.28,-17.25,;30.37,-16.15,;29.68,-18.73,;31.19,-19.05,;28.65,-19.88,;27.14,-19.55,;25.85,-20.4,;25.02,-19.1,;26.31,-18.26,;23.51,-18.79,;22.88,-17.38,;21.35,-17.53,;21.03,-19.04,;19.7,-19.81,;18.36,-19.04,;17.03,-19.81,;16.87,-21.34,;15.36,-21.67,;14.6,-20.33,;15.63,-19.18,;13.07,-20.17,;12.44,-18.77,;12.16,-21.42,;10.63,-21.25,;9.73,-22.49,;10.01,-19.85,;9.1,-21.24,;19.7,-21.35,;21.03,-22.12,;22.37,-21.35,;22.37,-19.81,)|
Show InChI InChI=1S/C25H32N8O3/c1-15-6-5-7-19(29-15)23(34)31-17-10-18(11-17)33-14-28-20-21(26-13-27-22(20)33)30-16-8-9-32(12-16)24(35)36-25(2,3)4/h5-7,13-14,16-18H,8-12H2,1-4H3,(H,31,34)(H,26,27,30)/t16?,17-,18+
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Article
PubMed
n/an/a>500n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay

Bioorg Med Chem Lett 27: 4399-4404 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.018
BindingDB Entry DOI: 10.7270/Q2W66P60
More data for this
Ligand-Target Pair