BDBM230946 US10188642, Example 72::US9334286, 72

SMILES: COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)C(=O)N3CC(C3)OC)cc2c1

InChI Key: InChIKey=LWWBINHUPURNQH-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 = 230946   

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))	BDBM230946 (US10188642, Example 72 | US9334286, 72) Show SMILES COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)C(=O)N3CC(C3)OC)cc2c1 Show InChI InChI=1S/C27H29N5O4/c1-34-9-8-32-15-22(14-29-32)18-4-5-20-13-28-26(12-21(20)10-18)30-24-7-6-19(11-25(24)36-3)27(33)31-16-23(17-31)35-2/h4-7,10-15,23H,8-9,16-17H2,1-3H3,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM230946 (US10188642, Example 72 | US9334286, 72) Show SMILES COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)C(=O)N3CC(C3)OC)cc2c1 Show InChI InChI=1S/C27H29N5O4/c1-34-9-8-32-15-22(14-29-32)18-4-5-20-13-28-26(12-21(20)10-18)30-24-7-6-19(11-25(24)36-3)27(33)31-16-23(17-31)35-2/h4-7,10-15,23H,8-9,16-17H2,1-3H3,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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