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SMILES: C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1

InChI Key: InChIKey=FZLSDZZNPXXBBB-KDURUIRLSA-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 = 476700   
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
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM476700
PNG
(5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...)
Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1
Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+
MMDB

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MCE
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



HANMI PHARM. CO.. LTD.

US Patent


Assay Description
The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...


US Patent US10870639 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P70
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K633Q]


(Homo sapiens (Human))
BDBM476700
PNG
(5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...)
Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1
Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+
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MCE
PC cid
PC sid
UniChem
n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0KQ4
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM476700
PNG
(5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...)
Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1
Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+
MMDB

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UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
n/an/a 1.80n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0KQ4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K633Q]


(Homo sapiens (Human))
BDBM476700
PNG
(5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl...)
Show SMILES C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1
Show InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



HANMI PHARM. CO.. LTD.

US Patent


Assay Description
The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The...


US Patent US10870639 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P70
More data for this
Ligand-Target Pair