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BDBM308301 US9649309, Compound UNC3198A

SMILES: CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCCCC1

InChI Key: InChIKey=FPQXIYKYKQSXAR-WEBLMRDCSA-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 = 308301   
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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM308301
PNG
(US9649309, Compound UNC3198A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCCCC1
Show InChI InChI=1S/C23H35N7O/c1-2-3-11-24-23-25-15-19(22(29-23)28-17-7-9-18(31)10-8-17)20-14-21(27-16-26-20)30-12-5-4-6-13-30/h14-18,31H,2-13H2,1H3,(H2,24,25,28,29)/t17?,18-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/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)

More data for this
Ligand-Target Pair
Growth arrest-specific protein 6


(Homo sapiens (human))
BDBM308301
PNG
(US9649309, Compound UNC3198A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCCCC1
Show InChI InChI=1S/C23H35N7O/c1-2-3-11-24-23-25-15-19(22(29-23)28-17-7-9-18(31)10-8-17)20-14-21(27-16-26-20)30-12-5-4-6-13-30/h14-18,31H,2-13H2,1H3,(H2,24,25,28,29)/t17?,18-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.74E+3n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM308301
PNG
(US9649309, Compound UNC3198A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCCCC1
Show InChI InChI=1S/C23H35N7O/c1-2-3-11-24-23-25-15-19(22(29-23)28-17-7-9-18(31)10-8-17)20-14-21(27-16-26-20)30-12-5-4-6-13-30/h14-18,31H,2-13H2,1H3,(H2,24,25,28,29)/t17?,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 85n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM308301
PNG
(US9649309, Compound UNC3198A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCCCC1
Show InChI InChI=1S/C23H35N7O/c1-2-3-11-24-23-25-15-19(22(29-23)28-17-7-9-18(31)10-8-17)20-14-21(27-16-26-20)30-12-5-4-6-13-30/h14-18,31H,2-13H2,1H3,(H2,24,25,28,29)/t17?,18-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.07E+3n/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)

More data for this
Ligand-Target Pair