BindingDB logo
myBDB logout

BDBM162014 US9682991, 70

SMILES: CN1CCOc2c1c(N[C@@H]1CC[C@H](N)CC1)nn1c(nnc21)-c1cccc(OC(F)(F)F)c1

InChI Key: InChIKey=DNLLRHLFHHRAGQ-OKILXGFUSA-N

Data: 1 IC50

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 1 hit for monomerid = 162014   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM162014
PNG
(US9682991, 70)
Show SMILES CN1CCOc2c1c(N[C@@H]1CC[C@H](N)CC1)nn1c(nnc21)-c1cccc(OC(F)(F)F)c1 |r,wU:9.9,12.13,(-6.57,2.69,;-5.24,3.47,;-5.24,5,;-3.91,5.78,;-2.57,5,;-2.57,3.47,;-3.91,2.69,;-3.91,1.15,;-5.24,.38,;-5.24,-1.15,;-6.57,-1.93,;-6.57,-3.47,;-5.24,-4.23,;-5.24,-5.78,;-3.91,-3.47,;-3.91,-1.93,;-2.57,.38,;-1.24,1.15,;.23,.68,;1.13,1.93,;.23,3.17,;-1.24,2.69,;.62,-.81,;-.46,-1.9,;-.07,-3.38,;1.42,-3.78,;2.51,-2.69,;4,-3.09,;5.09,-2,;6.57,-2.4,;4.69,-.52,;5.86,-3.34,;2.11,-1.21,)|
Show InChI InChI=1S/C21H24F3N7O2/c1-30-9-10-32-17-16(30)18(26-14-7-5-13(25)6-8-14)29-31-19(27-28-20(17)31)12-3-2-4-15(11-12)33-21(22,23)24/h2-4,11,13-14H,5-10,25H2,1H3,(H,26,29)/t13-,14+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III

US Patent


Assay Description
The biochemical assay to measure PIM-1 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of AD...

US Patent US9682991 (2017)


BindingDB Entry DOI: 10.7270/Q2513WCB
More data for this
Ligand-Target Pair