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BDBM172455 US9090625, 7::US9260450, 7::US9938289, 7

SMILES: Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1

InChI Key: InChIKey=VRQZQTWWFHBPNK-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 172455   
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))
BDBM172455
PNG
(US9090625, 7 | US9260450, 7 | US9938289, 7)
Show SMILES Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1
Show InChI InChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3
PDB
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Similars

US Patent
n/an/a 6.65n/an/an/an/an/an/a



THESAN PHARMACEUTICALS, INC.

US Patent


Assay Description
Pharmacol 2002, 62 58-62) The compounds named in the specified Examples were tested as follows for inhibition of ALK-5 autophosphorylation activity a...


US Patent US9090625 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MRM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM172455
PNG
(US9090625, 7 | US9260450, 7 | US9938289, 7)
Show SMILES Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1
Show InChI InChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3
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US Patent
n/an/a 6.65n/an/an/an/an/an/a



FBM THERAPEUTICS, LLC

US Patent


Assay Description
ALK-5 kinase assay methods have been described in the art (see e.g., Laping et al. (2002) Mol. Pharmacol. 2002; 62: 58-62). The compounds named in th...


US Patent US9938289 (2018)


BindingDB Entry DOI: 10.7270/Q25M682V
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM172455
PNG
(US9090625, 7 | US9260450, 7 | US9938289, 7)
Show SMILES Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1
Show InChI InChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3
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US Patent
n/an/a 35.9n/an/an/an/an/an/a



THESAN PHARMACEUTICALS, INC.

US Patent


Assay Description
ALK-5 gene reporter assay methods have been described in the art (see e.g., Maliekal et al. (2004) J Biol Chem 279(35):36287-36292). The compounds na...


US Patent US9260450 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TM0
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM172455
PNG
(US9090625, 7 | US9260450, 7 | US9938289, 7)
Show SMILES Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1
Show InChI InChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
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UniChem

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US Patent
n/an/a 6.65n/an/an/an/a7.64



THESAN PHARMACEUTICALS, INC.

US Patent


Assay Description
In a 96 well filter-bottom plate (Millipore, #MSDV N6B 50), 58 ul Assay Buffer (50 mM HEPES, pH 7.6, with 10 mM NaCl, 10 mM MgCl2, and 1 mM DTT ) is ...


US Patent US9260450 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TM0
More data for this
Ligand-Target Pair