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BDBM50517668 CHEMBL4578497

SMILES: N[C@H]1CC[C@@H](CC1)NC1C2CC3CC1CC(CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2

InChI Key: InChIKey=YMEXBYLQPKMQTF-SCOAHYCLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50517668   
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
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50517668
PNG
(CHEMBL4578497)
Show SMILES N[C@H]1CC[C@@H](CC1)NC1C2CC3CC1CC(CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2 |r,wU:1.0,wD:4.7,TLB:12:13:40:10.11.39,12:11:8.13.14:40,THB:7:8:40:10.11.39,39:11:8:14.15.40,39:15:8:10.12.11,(7.35,-10.42,;8.53,-9.43,;8.26,-7.92,;9.44,-6.93,;10.89,-7.46,;11.16,-8.97,;9.98,-9.96,;12.06,-6.47,;13.51,-6.99,;15.26,-7.12,;15.71,-8.46,;16.86,-9.33,;15.23,-9.34,;14.78,-7.89,;16.01,-6.89,;17.63,-6.92,;18.96,-6.16,;20.3,-6.92,;20.3,-8.46,;18.98,-9.23,;18.97,-10.78,;17.64,-11.55,;17.64,-13.09,;16.3,-13.85,;14.97,-13.08,;13.64,-13.85,;13.64,-15.39,;14.98,-16.16,;16.31,-15.39,;17.64,-16.15,;17.65,-17.69,;17.66,-19.1,;16.41,-18.72,;18.9,-18.71,;20.31,-11.55,;21.65,-10.78,;21.64,-9.23,;22.97,-8.45,;24.3,-7.67,;18.05,-8.37,;16.41,-6.18,)|
Show InChI InChI=1S/C30H38F3N7O/c31-30(32,33)41-25-4-2-1-3-19(25)15-36-28-37-16-22(14-34)27(40-28)38-17-29-11-18-9-20(12-29)26(21(10-18)13-29)39-24-7-5-23(35)6-8-24/h1-4,16,18,20-21,23-24,26,39H,5-13,15,17,35H2,(H2,36,37,38,40)/t18?,20?,21?,23-,24-,26?,29?
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PubMed
n/an/a 0.100n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length PKCtheta using biotin-labelled STK substrate-1 as substrate after 60 mins by fluorescence assay

Bioorg Med Chem 27: 790-799 (2019)


Article DOI: 10.1016/j.bmc.2019.01.019
More data for this
Ligand-Target Pair