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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase receptor R3' and Ligand = 'BDBM160280'   
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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160280
PNG
(US9040691, 35 | US9040691, 36 | US9040691, 8)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1CCNC1
Show InChI InChI=1S/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.40n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitab...


US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160280
PNG
(US9040691, 35 | US9040691, 36 | US9040691, 8)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1CCNC1
Show InChI InChI=1S/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.90n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...


US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160280
PNG
(US9040691, 35 | US9040691, 36 | US9040691, 8)
Show SMILES Nc1ncnn2c(cc(-c3cc(F)c(CO)c(F)c3)c12)C1CCNC1
Show InChI InChI=1S/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 21n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP a...


US Patent US9040691 (2015)


BindingDB Entry DOI: 10.7270/Q25H7F1T
More data for this
Ligand-Target Pair