BDBM308198 US9649309, Compound UNC2251B

SMILES: CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1

InChI Key: InChIKey=XYSYRHAUHUPOHK-UPDYAAQLSA-N

Data: 5 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 5 hits for monomerid = 308198   

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
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM308198 (US9649309, Compound UNC2251B) Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C25H39N7O/c1-3-4-11-26-25-28-17-22(24(30-25)29-20-6-8-21(33)9-7-20)23-10-5-19(16-27-23)18-32-14-12-31(2)13-15-32/h5,10,16-17,20-21,33H,3-4,6-9,11-15,18H2,1-2H3,(H2,26,28,29,30)/t20?,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...				US Patent US9649309 (2017) BindingDB Entry DOI: 10.7270/Q26Q209H
					More data for this Ligand-Target Pair
Growth arrest-specific protein 6 (Homo sapiens (Human))	BDBM308198 (US9649309, Compound UNC2251B) Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C25H39N7O/c1-3-4-11-26-25-28-17-22(24(30-25)29-20-6-8-21(33)9-7-20)23-10-5-19(16-27-23)18-32-14-12-31(2)13-15-32/h5,10,16-17,20-21,33H,3-4,6-9,11-15,18H2,1-2H3,(H2,26,28,29,30)/t20?,21-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...				US Patent US9649309 (2017) BindingDB Entry DOI: 10.7270/Q26Q209H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM308198 (US9649309, Compound UNC2251B) Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C25H39N7O/c1-3-4-11-26-25-28-17-22(24(30-25)29-20-6-8-21(33)9-7-20)23-10-5-19(16-27-23)18-32-14-12-31(2)13-15-32/h5,10,16-17,20-21,33H,3-4,6-9,11-15,18H2,1-2H3,(H2,26,28,29,30)/t20?,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...				US Patent US9649309 (2017) BindingDB Entry DOI: 10.7270/Q26Q209H
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM308198 (US9649309, Compound UNC2251B) Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C25H39N7O/c1-3-4-11-26-25-28-17-22(24(30-25)29-20-6-8-21(33)9-7-20)23-10-5-19(16-27-23)18-32-14-12-31(2)13-15-32/h5,10,16-17,20-21,33H,3-4,6-9,11-15,18H2,1-2H3,(H2,26,28,29,30)/t20?,21-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...				US Patent US9649309 (2017) BindingDB Entry DOI: 10.7270/Q26Q209H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3 (Homo sapiens (Human))	BDBM308198 (US9649309, Compound UNC2251B) Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C25H39N7O/c1-3-4-11-26-25-28-17-22(24(30-25)29-20-6-8-21(33)9-7-20)23-10-5-19(16-27-23)18-32-14-12-31(2)13-15-32/h5,10,16-17,20-21,33H,3-4,6-9,11-15,18H2,1-2H3,(H2,26,28,29,30)/t20?,21-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...				US Patent US9649309 (2017) BindingDB Entry DOI: 10.7270/Q26Q209H
					More data for this Ligand-Target Pair