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SMILES: COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](N)c2ccc(F)cc2)cc1)C(=O)N1CCCC1

InChI Key: InChIKey=NMFISVGDLHKOMF-GDLZYMKVSA-N

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 = 329356   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329356
PNG
((2R)-2-amino-2-(4-fluorophenyl)-N-[4-(2-{[2-methox...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](N)c2ccc(F)cc2)cc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C32H30FN7O3/c1-43-27-18-22(31(42)39-16-2-3-17-39)8-14-26(27)36-32-37-28-15-9-23(19-40(28)38-32)20-6-12-25(13-7-20)35-30(41)29(34)21-4-10-24(33)11-5-21/h4-15,18-19,29H,2-3,16-17,34H2,1H3,(H,35,41)(H,36,38)/t29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)


BindingDB Entry DOI: 10.7270/Q2DV1N06
More data for this
Ligand-Target Pair