BindingDB logo
myBDB logout

BDBM329346 (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(pyrrolidin-1-ylcarbonyl)phenyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamide::US9663510, Example 01.13

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

InChI Key: InChIKey=ZHFPSWSGPIWZIU-OAQYLSRUSA-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 = 329346   
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))		BDBM329346
PNG
((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(pyr...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C33H31FN6O3/c1-21(22-5-11-26(34)12-6-22)31(41)35-27-13-7-23(8-14-27)25-10-16-30-37-33(38-40(30)20-25)36-28-15-9-24(19-29(28)43-2)32(42)39-17-3-4-18-39/h5-16,19-21H,3-4,17-18H2,1-2H3,(H,35,41)(H,36,38)/t21-/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