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BDBM261651 5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(3-(3-((triisopropylsilyl)oxy)prop-1-yn-1-yl)phenyl)thiazol-2-yl)furan-2-carboxamide::US9708279, 28

SMILES: CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C

InChI Key: InChIKey=YYCJRSKUCRYDDJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 261651   
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
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261651
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C38H46N4O4SSi/c1-26(2)48(27(3)4,28(5)6)45-23-9-11-29-10-8-12-32(24-29)33-25-47-38(39-33)40-36(43)35-18-17-34(46-35)30-13-15-31(16-14-30)37(44)42-21-19-41(7)20-22-42/h8,10,12-18,24-28H,19-23H2,1-7H3,(H,39,40,43)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55.6n/an/an/an/a7.525



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)


BindingDB Entry DOI: 10.7270/Q2MC921P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261651
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
Show InChI InChI=1S/C38H46N4O4SSi/c1-26(2)48(27(3)4,28(5)6)45-23-9-11-29-10-8-12-32(24-29)33-25-47-38(39-33)40-36(43)35-18-17-34(46-35)30-13-15-31(16-14-30)37(44)42-21-19-41(7)20-22-42/h8,10,12-18,24-28H,19-23H2,1-7H3,(H,39,40,43)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.13E+3n/an/an/an/a7.525



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9708279 (2017)


BindingDB Entry DOI: 10.7270/Q2MC921P
More data for this
Ligand-Target Pair