BDBM236710 US9388140, 51

SMILES: Cc1cc(ccc1C(=O)NC1CC1)-c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1

InChI Key: InChIKey=NYGRIHMKXDTWTD-UHFFFAOYSA-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 = 236710   

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))	BDBM236710 (US9388140, 51) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1 Show InChI InChI=1S/C32H32F3N5O2/c1-18-13-20(3-9-25(18)30(41)38-22-4-5-22)21-15-27(36-12-11-32(33,34)35)29-28(16-21)40(17-37-29)24-8-10-26(19(2)14-24)31(42)39-23-6-7-23/h3,8-10,13-17,22-23,36H,4-7,11-12H2,1-2H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.7	22
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 US9388140 (2016) BindingDB Entry DOI: 10.7270/Q2BP01QF
					More data for this Ligand-Target Pair