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BDBM50148656 4-(2-(6-ethylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline::4-[2-(6-Ethyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-quinoline::CHEMBL122583

SMILES: CCc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccccc12

InChI Key: InChIKey=WGALZWWKJHCIBC-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 = 50148656   
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))
BDBM50148656
PNG
(4-(2-(6-ethylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[...)
Show SMILES CCc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccccc12 |(11.57,-4.8,;10.62,-3.57,;9.1,-3.78,;8.5,-5.22,;6.98,-5.41,;6.04,-4.19,;6.64,-2.75,;8.16,-2.56,;5.7,-1.54,;6.15,-.05,;4.87,.79,;4.36,2.23,;2.84,2.2,;2.4,.74,;3.65,-.12,;4.15,-1.57,;3.22,-2.8,;3.82,-4.22,;2.89,-5.46,;1.36,-5.25,;.77,-3.83,;-.76,-3.64,;-1.37,-2.22,;-.42,-.99,;1.1,-1.19,;1.7,-2.61,)|
Show InChI InChI=1S/C22H20N4/c1-2-15-7-5-10-19(24-15)22-21(20-11-6-14-26(20)25-22)17-12-13-23-18-9-4-3-8-16(17)18/h3-5,7-10,12-13H,2,6,11,14H2,1H3
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PubMed
n/an/a 71n/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))
BDBM50148656
PNG
(4-(2-(6-ethylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[...)
Show SMILES CCc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccccc12 |(11.57,-4.8,;10.62,-3.57,;9.1,-3.78,;8.5,-5.22,;6.98,-5.41,;6.04,-4.19,;6.64,-2.75,;8.16,-2.56,;5.7,-1.54,;6.15,-.05,;4.87,.79,;4.36,2.23,;2.84,2.2,;2.4,.74,;3.65,-.12,;4.15,-1.57,;3.22,-2.8,;3.82,-4.22,;2.89,-5.46,;1.36,-5.25,;.77,-3.83,;-.76,-3.64,;-1.37,-2.22,;-.42,-.99,;1.1,-1.19,;1.7,-2.61,)|
Show InChI InChI=1S/C22H20N4/c1-2-15-7-5-10-19(24-15)22-21(20-11-6-14-26(20)25-22)17-12-13-23-18-9-4-3-8-16(17)18/h3-5,7-10,12-13H,2,6,11,14H2,1H3
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n/an/a 71n/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))
BDBM50148656
PNG
(4-(2-(6-ethylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[...)
Show SMILES CCc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccccc12 |(11.57,-4.8,;10.62,-3.57,;9.1,-3.78,;8.5,-5.22,;6.98,-5.41,;6.04,-4.19,;6.64,-2.75,;8.16,-2.56,;5.7,-1.54,;6.15,-.05,;4.87,.79,;4.36,2.23,;2.84,2.2,;2.4,.74,;3.65,-.12,;4.15,-1.57,;3.22,-2.8,;3.82,-4.22,;2.89,-5.46,;1.36,-5.25,;.77,-3.83,;-.76,-3.64,;-1.37,-2.22,;-.42,-.99,;1.1,-1.19,;1.7,-2.61,)|
Show InChI InChI=1S/C22H20N4/c1-2-15-7-5-10-19(24-15)22-21(20-11-6-14-26(20)25-22)17-12-13-23-18-9-4-3-8-16(17)18/h3-5,7-10,12-13H,2,6,11,14H2,1H3
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NCI pathway
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/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