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Patent code US9212184

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM196807
PNG
(US9212184, I-2)
Show SMILES CSc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C21H25N5OS/c1-13(2)10-22-19-20-23-11-17(26(20)12-18(25-19)28-3)14-4-6-15(7-5-14)21(27)24-16-8-9-16/h4-7,11-13,16H,8-10H2,1-3H3,(H,22,25)(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/a7.722



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 US9212184 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JDN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM196808
PNG
(US9212184, I-3)
Show SMILES CSc1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(C(=O)NC2CC2)c(C)c1
Show InChI InChI=1S/C21H22F3N5OS/c1-12-9-13(3-6-15(12)20(30)27-14-4-5-14)16-10-26-19-18(25-8-7-21(22,23)24)28-17(31-2)11-29(16)19/h3,6,9-11,14H,4-5,7-8H2,1-2H3,(H,25,28)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 8.60n/an/an/an/a7.722



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 US9212184 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JDN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM196806
PNG
(US9212184, I-1)
Show SMILES CCCSc1cn2c(cnc2c(NCC(C)(C)O)n1)-c1ccc(C(=O)NC2CC2)c(C)c1
Show InChI InChI=1S/C24H31N5O2S/c1-5-10-32-20-13-29-19(12-25-22(29)21(28-20)26-14-24(3,4)31)16-6-9-18(15(2)11-16)23(30)27-17-7-8-17/h6,9,11-13,17,31H,5,7-8,10,14H2,1-4H3,(H,26,28)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 52.1n/an/an/an/a7.722



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 US9212184 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JDN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM196809
PNG
(US9212184, I-4)
Show SMILES CSc1cn2c(cnc2c(NCC(C)(C)O)n1)-c1ccc(C(=O)NC2CC2)c(C)c1
Show InChI InChI=1S/C22H27N5O2S/c1-13-9-14(5-8-16(13)21(28)25-15-6-7-15)17-10-23-20-19(24-12-22(2,3)29)26-18(30-4)11-27(17)20/h5,8-11,15,29H,6-7,12H2,1-4H3,(H,24,26)(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 64.8n/an/an/an/a7.722



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 US9212184 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JDN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%