BDBM251766 US9468642, 12

SMILES: O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(SC[C@H]3CCCO3)nc(cn12)-c1ccccc1

InChI Key: InChIKey=IRLRCYAXRDACDM-JOCHJYFZSA-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 = 251766   

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))	BDBM251766 (US9468642, 12) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(SC[C@H]3CCCO3)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C27H26N4O2S/c32-26(29-21-12-13-21)20-10-8-19(9-11-20)24-15-28-25-27(34-17-22-7-4-14-33-22)30-23(16-31(24)25)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,21-22H,4,7,12-14,17H2,(H,29,32)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	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 US9468642 (2016) BindingDB Entry DOI: 10.7270/Q2028QFV
					More data for this Ligand-Target Pair