BDBM230924 US10188642, Example 50::US9334286, 50

SMILES: COc1c(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)ccc(-c2cnc(C)n2C)c1F

InChI Key: InChIKey=WMUAOQMVCLAFLU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 230924   

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))	BDBM230924 (US10188642, Example 50 | US9334286, 50) Show SMILES COc1c(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)ccc(-c2cnc(C)n2C)c1F Show InChI InChI=1S/C28H29FN6O2/c1-17-30-14-24(34(17)4)22-8-9-23(27(37-5)26(22)29)33-25-11-20-10-18(6-7-19(20)12-31-25)21-13-32-35(15-21)16-28(2,3)36/h6-15,36H,16H2,1-5H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US10188642 (2019) BindingDB Entry DOI: 10.7270/Q2D50Q2N
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230924 (US10188642, Example 50 | US9334286, 50) Show SMILES COc1c(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)ccc(-c2cnc(C)n2C)c1F Show InChI InChI=1S/C28H29FN6O2/c1-17-30-14-24(34(17)4)22-8-9-23(27(37-5)26(22)29)33-25-11-20-10-18(6-7-19(20)12-31-25)21-13-32-35(15-21)16-28(2,3)36/h6-15,36H,16H2,1-5H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair