BDBM230912 US10188642, Example 38::US9334286, 38

SMILES: COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)O)c1)-c1cnc(C)n1C

InChI Key: InChIKey=KNTNNABZSHTFKS-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 = 230912   

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))	BDBM230912 (US10188642, Example 38 | US9334286, 38) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)O)c1)-c1cnc(C)n1C |w:24.28| Show InChI InChI=1S/C27H28N6O2/c1-17(34)15-33-16-23(13-30-33)19-5-6-21-12-29-27(11-22(21)9-19)31-24-8-7-20(10-26(24)35-4)25-14-28-18(2)32(25)3/h5-14,16-17,34H,15H2,1-4H3,(H,29,31)	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))	BDBM230912 (US10188642, Example 38 | US9334286, 38) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)O)c1)-c1cnc(C)n1C |w:24.28| Show InChI InChI=1S/C27H28N6O2/c1-17(34)15-33-16-23(13-30-33)19-5-6-21-12-29-27(11-22(21)9-19)31-24-8-7-20(10-26(24)35-4)25-14-28-18(2)32(25)3/h5-14,16-17,34H,15H2,1-4H3,(H,29,31)	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