BindingDB logo
myBDB logout

null

SMILES: CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1

InChI Key: InChIKey=UMJNEGIWFHRTLO-LDTFBWSASA-N

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 = 308231   
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 Mer


(Homo sapiens (Human))
BDBM308231
PNG
(US9649309, Compound UNC4165A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28.29:32,(-9.43,-2.5,;-8.1,-1.73,;-6.77,-2.5,;-5.43,-1.73,;-4.1,-2.5,;-2.77,-1.73,;-1.43,-2.5,;-.1,-1.73,;-.1,-.19,;-1.43,.58,;-1.43,2.12,;-2.77,2.89,;-4.1,2.12,;-5.43,2.89,;-5.43,4.43,;-6.77,5.2,;-4.1,5.2,;-2.77,4.43,;-2.77,-.19,;1.23,.58,;2.57,-.19,;3.9,.58,;3.9,2.12,;5.24,2.89,;6.57,2.12,;5.8,.78,;6.61,-.43,;8.13,-.72,;9.43,.09,;9.04,-1.4,;7.76,-2.25,;6.26,-1.91,;8.67,-3.71,;9.07,-5.2,;2.57,2.89,;1.23,2.12,)|
Show InChI InChI=1S/C28H43N7O/c1-3-4-13-29-28-32-18-25(27(34-28)33-20-6-10-24(36)11-7-20)26-12-5-19(17-31-26)16-30-21-14-22-8-9-23(15-21)35(22)2/h5,12,17-18,20-24,30,36H,3-4,6-11,13-16H2,1-2H3,(H2,29,32,33,34)/t20-,21?,22?,23?,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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
Receptor-type tyrosine-protein kinase FLT3 [K633Q]


(Homo sapiens (Human))
BDBM308231
PNG
(US9649309, Compound UNC4165A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28.29:32,(-9.43,-2.5,;-8.1,-1.73,;-6.77,-2.5,;-5.43,-1.73,;-4.1,-2.5,;-2.77,-1.73,;-1.43,-2.5,;-.1,-1.73,;-.1,-.19,;-1.43,.58,;-1.43,2.12,;-2.77,2.89,;-4.1,2.12,;-5.43,2.89,;-5.43,4.43,;-6.77,5.2,;-4.1,5.2,;-2.77,4.43,;-2.77,-.19,;1.23,.58,;2.57,-.19,;3.9,.58,;3.9,2.12,;5.24,2.89,;6.57,2.12,;5.8,.78,;6.61,-.43,;8.13,-.72,;9.43,.09,;9.04,-1.4,;7.76,-2.25,;6.26,-1.91,;8.67,-3.71,;9.07,-5.2,;2.57,2.89,;1.23,2.12,)|
Show InChI InChI=1S/C28H43N7O/c1-3-4-13-29-28-32-18-25(27(34-28)33-20-6-10-24(36)11-7-20)26-12-5-19(17-31-26)16-30-21-14-22-8-9-23(15-21)35(22)2/h5,12,17-18,20-24,30,36H,3-4,6-11,13-16H2,1-2H3,(H2,29,32,33,34)/t20-,21?,22?,23?,24-
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/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))
BDBM308231
PNG
(US9649309, Compound UNC4165A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28.29:32,(-9.43,-2.5,;-8.1,-1.73,;-6.77,-2.5,;-5.43,-1.73,;-4.1,-2.5,;-2.77,-1.73,;-1.43,-2.5,;-.1,-1.73,;-.1,-.19,;-1.43,.58,;-1.43,2.12,;-2.77,2.89,;-4.1,2.12,;-5.43,2.89,;-5.43,4.43,;-6.77,5.2,;-4.1,5.2,;-2.77,4.43,;-2.77,-.19,;1.23,.58,;2.57,-.19,;3.9,.58,;3.9,2.12,;5.24,2.89,;6.57,2.12,;5.8,.78,;6.61,-.43,;8.13,-.72,;9.43,.09,;9.04,-1.4,;7.76,-2.25,;6.26,-1.91,;8.67,-3.71,;9.07,-5.2,;2.57,2.89,;1.23,2.12,)|
Show InChI InChI=1S/C28H43N7O/c1-3-4-13-29-28-32-18-25(27(34-28)33-20-6-10-24(36)11-7-20)26-12-5-19(17-31-26)16-30-21-14-22-8-9-23(15-21)35(22)2/h5,12,17-18,20-24,30,36H,3-4,6-11,13-16H2,1-2H3,(H2,29,32,33,34)/t20-,21?,22?,23?,24-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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))
BDBM308231
PNG
(US9649309, Compound UNC4165A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28.29:32,(-9.43,-2.5,;-8.1,-1.73,;-6.77,-2.5,;-5.43,-1.73,;-4.1,-2.5,;-2.77,-1.73,;-1.43,-2.5,;-.1,-1.73,;-.1,-.19,;-1.43,.58,;-1.43,2.12,;-2.77,2.89,;-4.1,2.12,;-5.43,2.89,;-5.43,4.43,;-6.77,5.2,;-4.1,5.2,;-2.77,4.43,;-2.77,-.19,;1.23,.58,;2.57,-.19,;3.9,.58,;3.9,2.12,;5.24,2.89,;6.57,2.12,;5.8,.78,;6.61,-.43,;8.13,-.72,;9.43,.09,;9.04,-1.4,;7.76,-2.25,;6.26,-1.91,;8.67,-3.71,;9.07,-5.2,;2.57,2.89,;1.23,2.12,)|
Show InChI InChI=1S/C28H43N7O/c1-3-4-13-29-28-32-18-25(27(34-28)33-20-6-10-24(36)11-7-20)26-12-5-19(17-31-26)16-30-21-14-22-8-9-23(15-21)35(22)2/h5,12,17-18,20-24,30,36H,3-4,6-11,13-16H2,1-2H3,(H2,29,32,33,34)/t20-,21?,22?,23?,24-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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