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BDBM264374 US9714247, 95

SMILES: CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O

InChI Key: InChIKey=CGWOMGVXWZUIFP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 264374   
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
TEC family kinase


(Homo sapiens (Human))
BDBM264374
PNG
(US9714247, 95)
Show SMILES CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C28H30F2N6O/c1-4-36-24-15-26(31-16-18(24)14-21(28(36)37)27-22(29)6-5-7-23(27)30)33-25-9-8-20(17-32-25)35(3)19-10-12-34(2)13-11-19/h5-9,14-17,19H,4,10-13H2,1-3H3,(H,31,32,33)
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals Inc

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2BR8V6C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM264374
PNG
(US9714247, 95)
Show SMILES CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C28H30F2N6O/c1-4-36-24-15-26(31-16-18(24)14-21(28(36)37)27-22(29)6-5-7-23(27)30)33-25-9-8-20(17-32-25)35(3)19-10-12-34(2)13-11-19/h5-9,14-17,19H,4,10-13H2,1-3H3,(H,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals Inc

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2BR8V6C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264374
PNG
(US9714247, 95)
Show SMILES CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C28H30F2N6O/c1-4-36-24-15-26(31-16-18(24)14-21(28(36)37)27-22(29)6-5-7-23(27)30)33-25-9-8-20(17-32-25)35(3)19-10-12-34(2)13-11-19/h5-9,14-17,19H,4,10-13H2,1-3H3,(H,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals Inc

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2BR8V6C
More data for this
Ligand-Target Pair