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BDBM50148657 7-Ethoxy-4-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-quinoline::7-ethoxy-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline::CHEMBL120587

SMILES: CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1cccc(C)n1

InChI Key: InChIKey=SGMXHEIWJQTVMJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50148657   
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
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50148657
PNG
(7-Ethoxy-4-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-...)
Show SMILES CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1cccc(C)n1 |(-1.9,-4.25,;-2.4,-2.8,;-1.4,-1.64,;.1,-1.92,;1.12,-.75,;2.62,-1.05,;3.13,-2.5,;4.64,-2.8,;5.15,-4.25,;4.13,-5.41,;2.63,-5.13,;2.13,-3.67,;.61,-3.39,;5.65,-1.63,;5.15,-.17,;3.88,.71,;4.34,2.21,;5.87,2.21,;6.37,.76,;7.63,-.12,;7.18,-1.59,;8.18,-2.78,;7.64,-4.22,;8.62,-5.4,;10.14,-5.15,;10.68,-3.7,;12.19,-3.45,;9.7,-2.52,)|
Show InChI InChI=1S/C23H22N4O/c1-3-28-16-9-10-17-18(11-12-24-20(17)14-16)22-21-8-5-13-27(21)26-23(22)19-7-4-6-15(2)25-19/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3
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Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against TGF-beta type I receptor


Bioorg Med Chem Lett 14: 3585-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.065
BindingDB Entry DOI: 10.7270/Q23R0SCK
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50148657
PNG
(7-Ethoxy-4-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-...)
Show SMILES CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1cccc(C)n1 |(-1.9,-4.25,;-2.4,-2.8,;-1.4,-1.64,;.1,-1.92,;1.12,-.75,;2.62,-1.05,;3.13,-2.5,;4.64,-2.8,;5.15,-4.25,;4.13,-5.41,;2.63,-5.13,;2.13,-3.67,;.61,-3.39,;5.65,-1.63,;5.15,-.17,;3.88,.71,;4.34,2.21,;5.87,2.21,;6.37,.76,;7.63,-.12,;7.18,-1.59,;8.18,-2.78,;7.64,-4.22,;8.62,-5.4,;10.14,-5.15,;10.68,-3.7,;12.19,-3.45,;9.7,-2.52,)|
Show InChI InChI=1S/C23H22N4O/c1-3-28-16-9-10-17-18(11-12-24-20(17)14-16)22-21-8-5-13-27(21)26-23(22)19-7-4-6-15(2)25-19/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3
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n/an/a 88n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50148657
PNG
(7-Ethoxy-4-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-...)
Show SMILES CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1cccc(C)n1 |(-1.9,-4.25,;-2.4,-2.8,;-1.4,-1.64,;.1,-1.92,;1.12,-.75,;2.62,-1.05,;3.13,-2.5,;4.64,-2.8,;5.15,-4.25,;4.13,-5.41,;2.63,-5.13,;2.13,-3.67,;.61,-3.39,;5.65,-1.63,;5.15,-.17,;3.88,.71,;4.34,2.21,;5.87,2.21,;6.37,.76,;7.63,-.12,;7.18,-1.59,;8.18,-2.78,;7.64,-4.22,;8.62,-5.4,;10.14,-5.15,;10.68,-3.7,;12.19,-3.45,;9.7,-2.52,)|
Show InChI InChI=1S/C23H22N4O/c1-3-28-16-9-10-17-18(11-12-24-20(17)14-16)22-21-8-5-13-27(21)26-23(22)19-7-4-6-15(2)25-19/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3
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PC sid
UniChem

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Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 14: 3585-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.065
BindingDB Entry DOI: 10.7270/Q23R0SCK
More data for this
Ligand-Target Pair