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BDBM50184872 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide::4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-N-(tetrahydro-2H-pyran-4-yl)benzamide::CHEMBL202887::GW-788388

SMILES: O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1

InChI Key: InChIKey=SAGZIBJAQGBRQA-UHFFFAOYSA-N

Data: 4 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50184872   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50184872
PNG
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)
Show SMILES O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of TGFR1


Eur J Med Chem 44: 4259-65 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50184872
PNG
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)
Show SMILES O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay


J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50184872
PNG
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)
Show SMILES O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
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n/an/a 7.28E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-p38alpha


J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
Transforming growth factor beta-1


(Homo sapiens (Human))
BDBM50184872
PNG
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)
Show SMILES O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
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n/an/a 446n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with luciferase and FAST-2 gene expression vector A3-LUX after 16 hrs by lucifera...


Bioorg Med Chem Lett 21: 5642-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.120
BindingDB Entry DOI: 10.7270/Q2K937X4
More data for this
Ligand-Target Pair