BDBM329336 (2R)-2-(4-fluorophenyl)-N-[4-(2-{[4-(methylsulfonyl)-2-(2,2,2-trifluoro-ethoxy)phenyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-propanamide::US9663510, Example 01.03

SMILES: C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)S(C)(=O)=O)nn2c1)c1ccc(F)cc1

InChI Key: InChIKey=VYJXPBPEYOOMNE-GOSISDBHSA-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 = 329336   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM329336 ((2R)-2-(4-fluorophenyl)-N-[4-(2-{[4-(methylsulfony...) Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)S(C)(=O)=O)nn2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H25F4N5O4S/c1-18(19-3-8-22(31)9-4-19)28(40)35-23-10-5-20(6-11-23)21-7-14-27-37-29(38-39(27)16-21)36-25-13-12-24(44(2,41)42)15-26(25)43-17-30(32,33)34/h3-16,18H,17H2,1-2H3,(H,35,40)(H,36,38)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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