BDBM251792 US9468642, 34B

SMILES: CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccc(cc1)[C@H](C)O

InChI Key: InChIKey=ZSXVSDXANAKNNB-INIZCTEOSA-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 = 251792   

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))	BDBM251792 (US9468642, 34B) Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccc(cc1)[C@H](C)O Show InChI InChI=1S/C27H25N5OS/c1-16(33)17-3-5-19(6-4-17)23-15-32-24(14-29-26(32)27(31-23)34-2)20-9-7-18(8-10-20)22-13-28-25(30-22)21-11-12-21/h3-10,13-16,21,33H,11-12H2,1-2H3,(H,28,30)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58.2	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