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BDBM308294 US9649309, Compound UNC3192A

SMILES: CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1

InChI Key: InChIKey=HTMNAROLUQALML-CXIWYSOXSA-N

Data: 4 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 4 hits for monomerid = 308294   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM308294
PNG
(US9649309, Compound UNC3192A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;4.67,.77,;3.33,1.54,;2,.77,)|
Show InChI InChI=1S/C21H33N7O/c1-4-5-10-22-21-23-12-17(18-11-19(25-13-24-18)26-14(2)3)20(28-21)27-15-6-8-16(29)9-7-15/h11-16,29H,4-10H2,1-3H3,(H,24,25,26)(H2,22,23,27,28)/t15?,16-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/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))
BDBM308294
PNG
(US9649309, Compound UNC3192A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;4.67,.77,;3.33,1.54,;2,.77,)|
Show InChI InChI=1S/C21H33N7O/c1-4-5-10-22-21-23-12-17(18-11-19(25-13-24-18)26-14(2)3)20(28-21)27-15-6-8-16(29)9-7-15/h11-16,29H,4-10H2,1-3H3,(H,24,25,26)(H2,22,23,27,28)/t15?,16-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 77n/an/an/an/an/an/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))
BDBM308294
PNG
(US9649309, Compound UNC3192A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;4.67,.77,;3.33,1.54,;2,.77,)|
Show InChI InChI=1S/C21H33N7O/c1-4-5-10-22-21-23-12-17(18-11-19(25-13-24-18)26-14(2)3)20(28-21)27-15-6-8-16(29)9-7-15/h11-16,29H,4-10H2,1-3H3,(H,24,25,26)(H2,22,23,27,28)/t15?,16-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/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))
BDBM308294
PNG
(US9649309, Compound UNC3192A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;4.67,.77,;3.33,1.54,;2,.77,)|
Show InChI InChI=1S/C21H33N7O/c1-4-5-10-22-21-23-12-17(18-11-19(25-13-24-18)26-14(2)3)20(28-21)27-15-6-8-16(29)9-7-15/h11-16,29H,4-10H2,1-3H3,(H,24,25,26)(H2,22,23,27,28)/t15?,16-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 86n/an/an/an/an/an/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