BindingDB logo
myBDB logout

null

SMILES: COCc1cccc(c1)-c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1

InChI Key: InChIKey=IOEKHXVUWIAKCH-UHFFFAOYSA-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 = 213790   
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))		BDBM213790
PNG
(US9284317, 1-2)
Show SMILES COCc1cccc(c1)-c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C28H31N5O2/c1-18(2)14-29-26-27-30-15-25(20-7-9-21(10-8-20)28(34)31-23-11-12-23)33(27)16-24(32-26)22-6-4-5-19(13-22)17-35-3/h4-10,13,15-16,18,23H,11-12,14,17H2,1-3H3,(H,29,32)(H,31,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.10n/an/an/an/a7.722



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 US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair