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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 112438   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112438
PNG
(US8623889, 437)
Show SMILES C[C@@H]1CCC(=O)N1c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
Show InChI InChI=1S/C18H18FN3O2/c1-10-2-5-17(23)22(10)13-4-3-11-7-16(20-9-12(11)6-13)21-18(24)14-8-15(14)19/h3-4,6-7,9-10,14-15H,2,5,8H2,1H3,(H,20,21,24)/t10-,14?,15+/m1/s1
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PC cid
PC sid
UniChem

Similars

US Patent
0.0799n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112438
PNG
(US8623889, 437)
Show SMILES C[C@@H]1CCC(=O)N1c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1 |r|
Show InChI InChI=1S/C18H18FN3O2/c1-10-2-5-17(23)22(10)13-4-3-11-7-16(20-9-12(11)6-13)21-18(24)14-8-15(14)19/h3-4,6-7,9-10,14-15H,2,5,8H2,1H3,(H,20,21,24)/t10-,14?,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
3.40n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair