BDBM50469252 CHEMBL4287122

SMILES: [H][C@@]12C[C@@]3([H])C[C@@](CNc4nc(NCc5ccccc5C(F)(F)F)ncc4C#N)(C1)C[C@@]([H])(C2)[C@H]3N

InChI Key: InChIKey=NTRMDELOOLJPGQ-PTRWISQFSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469252   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Protein kinase C theta type (Homo sapiens (Human))	BDBM50469252 (CHEMBL4287122) Show SMILES [H][C@@]12C[C@@]3([H])C[C@@](CNc4nc(NCc5ccccc5C(F)(F)F)ncc4C#N)(C1)C[C@@]([H])(C2)[C@H]3N |r,TLB:5:3:33:6.30.29,THB:2:1:34.3.5:30,2:3:30:1.33.29,35:34:33:6.30.29,35:34:30:1.33.29,35:34:5.6.30:1.33.2,5:6:33:34.3.2| Show InChI InChI=1S/C24H27F3N6/c25-24(26,27)19-4-2-1-3-15(19)11-30-22-31-12-18(10-28)21(33-22)32-13-23-7-14-5-16(8-23)20(29)17(6-14)9-23/h1-4,12,14,16-17,20H,5-9,11,13,29H2,(H2,30,31,32,33)/t14-,16-,17+,20-,23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...				Bioorg Med Chem 26: 5499-5509 (2018) Article DOI: 10.1016/j.bmc.2018.09.029 BindingDB Entry DOI: 10.7270/Q2BG2RQT
					More data for this Ligand-Target Pair