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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B [1-341]' and Ligand = 'BDBM311139'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aurora kinase B [1-341]


(Homo sapiens (Human))		BDBM311139
PNG
(example 3B.22 on page 219 of WO15017610)
Show SMILES C[C@@H](Oc1cc(cc2ncn(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1 |r|
Show InChI InChI=1S/C21H27N5O2/c1-13(15-8-19(27)22-9-15)28-18-7-14(6-17-20(18)25(5)12-23-17)16-10-24-26(11-16)21(2,3)4/h6-7,10-13,15H,8-9H2,1-5H3,(H,22,27)/t13-,15-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 771n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protei...

US Patent US10155751 (2018)


BindingDB Entry DOI: 10.7270/Q2PK0J60
More data for this
Ligand-Target Pair