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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM246979'   
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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM246979
PNG
(4-{3-[2-(Aminomethyl)-2,3-dihydro-1H-inden-2-yl]ph...)
Show SMILES CC(C)Nc1nc(-c2cccc(c2)C2(CN)Cc3ccccc3C2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H27N5/c1-16(2)28-24-29-22(21-10-11-27-23(21)30-24)17-8-5-9-20(12-17)25(15-26)13-18-6-3-4-7-19(18)14-25/h3-12,16H,13-15,26H2,1-2H3,(H2,27,28,29,30)
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US Patent
n/an/a<500n/an/an/an/an/a25



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM246979
PNG
(4-{3-[2-(Aminomethyl)-2,3-dihydro-1H-inden-2-yl]ph...)
Show SMILES CC(C)Nc1nc(-c2cccc(c2)C2(CN)Cc3ccccc3C2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H27N5/c1-16(2)28-24-29-22(21-10-11-27-23(21)30-24)17-8-5-9-20(12-17)25(15-26)13-18-6-3-4-7-19(18)14-25/h3-12,16H,13-15,26H2,1-2H3,(H2,27,28,29,30)
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US Patent
n/an/a<500n/an/an/an/an/an/a


TBA

Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NMD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM246979
PNG
(4-{3-[2-(Aminomethyl)-2,3-dihydro-1H-inden-2-yl]ph...)
Show SMILES CC(C)Nc1nc(-c2cccc(c2)C2(CN)Cc3ccccc3C2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H27N5/c1-16(2)28-24-29-22(21-10-11-27-23(21)30-24)17-8-5-9-20(12-17)25(15-26)13-18-6-3-4-7-19(18)14-25/h3-12,16H,13-15,26H2,1-2H3,(H2,27,28,29,30)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10519163 (2019)


BindingDB Entry DOI: 10.7270/Q28K7CGF
More data for this
Ligand-Target Pair