BDBM21498 Dihydropyrrolopyrazole, 8::methyl 4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol-3-yl]quinoline-6-carboxylate

SMILES: COC(=O)c1ccc2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1

InChI Key: InChIKey=PYUBAZVUCQOMKF-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 1 hit for monomerid = 21498   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
TGF-beta receptor type-1 T204D (Homo sapiens (Human))	BDBM21498 (Dihydropyrrolopyrazole, 8 | methyl 4-[2-(6-methylp...) Show SMILES COC(=O)c1ccc2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1 |(-7.96,3.6,;-7.56,5.09,;-6.23,5.86,;-6.23,7.4,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;5.84,8,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,)| Show InChI InChI=1S/C23H20N4O2/c1-14-5-3-6-19(25-14)22-21(20-7-4-12-27(20)26-22)16-10-11-24-18-9-8-15(13-17(16)18)23(28)29-2/h3,5-6,8-11,13H,4,7,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	526	n/a	403	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair