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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM144327'   
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
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))		BDBM144327
PNG
(US8969336, 571)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 |r,wU:36.40,wD:36.41,33.36,(3.3,-7.91,;3.3,-6.37,;1.97,-5.6,;.64,-6.37,;-.7,-5.6,;-2.03,-6.37,;-3.36,-5.6,;-2.03,-7.91,;-.7,-4.06,;-2.03,-3.29,;-2.03,-1.75,;-.7,-.98,;-.7,.56,;-2.03,1.33,;-2.03,2.87,;-.7,3.64,;-.7,5.18,;-2.03,5.95,;-3.36,5.18,;-3.36,3.64,;-2.03,7.49,;-3.36,8.26,;-3.36,9.8,;-2.03,10.57,;-2.03,12.11,;-.7,9.8,;-.7,8.26,;-3.36,.56,;-4.7,1.33,;-3.36,-.98,;.64,-3.29,;1.97,-4.06,;3.3,-3.29,;4.64,-4.06,;4.64,-5.6,;5.97,-6.37,;7.3,-5.6,;8.12,-6.91,;8.84,-5.65,;7.3,-4.06,;5.97,-3.29,)|
Show InChI InChI=1S/C31H48N8O2/c1-5-25-29(33-22-8-12-31(3,41)13-9-22)36-30(27(35-25)28(32)40)34-23-6-7-26(21(2)20-23)39-14-10-24(11-15-39)38-18-16-37(4)17-19-38/h6-7,20,22,24,41H,5,8-19H2,1-4H3,(H2,32,40)(H2,33,34,36)/t22-,31+
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.860n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...

US Patent US8969336 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9GZW
More data for this
Ligand-Target Pair