BDBM21504 7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol-3-yl]quinoline::Dihydropyrrolopyrazole, 14a

SMILES: CN1CCN(CCCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1

InChI Key: InChIKey=XUNIUWPTUZPEDT-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 = 21504   

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))	BDBM21504 (7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[2-(pyridi...) Show SMILES CN1CCN(CCCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1 |(-12.89,-4.15,;-11.56,-3.38,;-11.56,-1.84,;-10.23,-1.07,;-8.89,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.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,;3.17,7.97,;-8.89,-3.38,;-10.23,-4.15,)| Show InChI InChI=1S/C28H32N6O/c1-32-15-17-33(18-16-32)13-5-19-35-21-8-9-22-23(10-12-30-25(22)20-21)27-26-7-4-14-34(26)31-28(27)24-6-2-3-11-29-24/h2-3,6,8-12,20H,4-5,7,13-19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	44	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