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BDBM319787 5,6-dibromo-4-nitro-2-(piperazin-1-yl)-1-(propan-2-yl)-1H-1,3-benzodiazole::US10174013, Example 2A

SMILES: CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1

InChI Key: InChIKey=OXXGIJXWBGSRMV-UHFFFAOYSA-N

Data: 4 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 319787   
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))
BDBM319787
PNG
(5,6-dibromo-4-nitro-2-(piperazin-1-yl)-1-(propan-2...)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C14H17Br2N5O2/c1-8(2)20-10-7-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-17-4-6-19/h7-8,17H,3-6H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 130n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
FLT3(D835Y)


(Homo sapiens (human))
BDBM319787
PNG
(5,6-dibromo-4-nitro-2-(piperazin-1-yl)-1-(propan-2...)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C14H17Br2N5O2/c1-8(2)20-10-7-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-17-4-6-19/h7-8,17H,3-6H2,1-2H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 15n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
FLT3(D835H)


(Homo sapiens (human))
BDBM319787
PNG
(5,6-dibromo-4-nitro-2-(piperazin-1-yl)-1-(propan-2...)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C14H17Br2N5O2/c1-8(2)20-10-7-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-17-4-6-19/h7-8,17H,3-6H2,1-2H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 28n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM319787
PNG
(5,6-dibromo-4-nitro-2-(piperazin-1-yl)-1-(propan-2...)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C14H17Br2N5O2/c1-8(2)20-10-7-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-17-4-6-19/h7-8,17H,3-6H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 18n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair