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BDBM223086 Isobutyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)-piperazine-1-carboxylate (3f)

SMILES: CC(C)COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1

InChI Key: InChIKey=IFVGNYDOUDEVPK-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 223086   
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
Epithelial discoidin domain-containing receptor 1


(Homo sapiens)
BDBM223086
PNG
(Isobutyl 4-(6-((5-((2-chloro-6-methylphenyl)carbam...)
Show SMILES CC(C)COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C25H30ClN7O3S/c1-15(2)14-36-25(35)33-10-8-32(9-11-33)21-12-20(28-17(4)29-21)30-24-27-13-19(37-24)23(34)31-22-16(3)6-5-7-18(22)26/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,31,34)(H,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.75n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences



Assay Description
The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...


Chem Biol Drug Des 89: 420-427 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM223086
PNG
(Isobutyl 4-(6-((5-((2-chloro-6-methylphenyl)carbam...)
Show SMILES CC(C)COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C25H30ClN7O3S/c1-15(2)14-36-25(35)33-10-8-32(9-11-33)21-12-20(28-17(4)29-21)30-24-27-13-19(37-24)23(34)31-22-16(3)6-5-7-18(22)26/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,31,34)(H,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.440n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences



Assay Description
ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...


Chem Biol Drug Des 89: 420-427 (2017)

More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens)
BDBM223086
PNG
(Isobutyl 4-(6-((5-((2-chloro-6-methylphenyl)carbam...)
Show SMILES CC(C)COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C25H30ClN7O3S/c1-15(2)14-36-25(35)33-10-8-32(9-11-33)21-12-20(28-17(4)29-21)30-24-27-13-19(37-24)23(34)31-22-16(3)6-5-7-18(22)26/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,31,34)(H,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34.6n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences



Assay Description
The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...


Chem Biol Drug Des 89: 420-427 (2017)

More data for this
Ligand-Target Pair