BDBM142741 US8937095, 3

SMILES: FC(F)CNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN4CCCC4)cc3)c3ccccc3)C(=O)Nc2c1

InChI Key: InChIKey=HIHSPODSHWNEQD-FLWNBWAVSA-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 = 142741   

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 mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM142741 (US8937095, 3) Show SMILES FC(F)CNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN4CCCC4)cc3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H28F2N4O2/c32-27(33)19-34-28(38)15-11-21-10-14-25-26(18-21)36-31(39)29(25)30(23-6-2-1-3-7-23)35-24-12-8-22(9-13-24)20-37-16-4-5-17-37/h1-3,6-10,12-14,18,27,35H,4-5,16-17,19-20H2,(H,34,38)(H,36,39)/b30-29-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.6	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ...				US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4
					More data for this Ligand-Target Pair
Aurora kinase B-B (Xenopus laevis (African clawed frog))	BDBM142741 (US8937095, 3) Show SMILES FC(F)CNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN4CCCC4)cc3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H28F2N4O2/c32-27(33)19-34-28(38)15-11-21-10-14-25-26(18-21)36-31(39)29(25)30(23-6-2-1-3-7-23)35-24-12-8-22(9-13-24)20-37-16-4-5-17-37/h1-3,6-10,12-14,18,27,35H,4-5,16-17,19-20H2,(H,34,38)(H,36,39)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.6	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ...				US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4
					More data for this Ligand-Target Pair