BDBM142744 US8937095, 6

SMILES: CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1

InChI Key: InChIKey=FLBNLJLONKAPLR-DQSJHHFOSA-N

Data: 2 IC50

PDB links: 3 PDB IDs match this monomer.

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 = 142744   

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))	BDBM142744 (US8937095, 6) Show SMILES CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,31H,4,19H2,1-3H3,(H,30,34)(H,32,35)/b28-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	25	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				3D Structure (crystal)
Aurora kinase B (Xenopus laevis (African clawed frog))	BDBM142744 (US8937095, 6) Show SMILES CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,31H,4,19H2,1-3H3,(H,30,34)(H,32,35)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB 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				3D Structure (crystal)