BindingDB logo
myBDB logout

BDBM223093 (E)-2-((6-(4-(but-2-enoyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide (3m)

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

InChI Key: InChIKey=YXCVYRQZUTUYKZ-GQCTYLIASA-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 = 223093   
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)
BDBM223093
PNG
((E)-2-((6-(4-(but-2-enoyl)piperazin-1-yl)-2-methyl...)
Show SMILES C\C=C\C(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C24H26ClN7O2S/c1-4-6-21(33)32-11-9-31(10-12-32)20-13-19(27-16(3)28-20)29-24-26-14-18(35-24)23(34)30-22-15(2)7-5-8-17(22)25/h4-8,13-14H,9-12H2,1-3H3,(H,30,34)(H,26,27,28,29)/b6-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.25n/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))
BDBM223093
PNG
((E)-2-((6-(4-(but-2-enoyl)piperazin-1-yl)-2-methyl...)
Show SMILES C\C=C\C(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C24H26ClN7O2S/c1-4-6-21(33)32-11-9-31(10-12-32)20-13-19(27-16(3)28-20)29-24-26-14-18(35-24)23(34)30-22-15(2)7-5-8-17(22)25/h4-8,13-14H,9-12H2,1-3H3,(H,30,34)(H,26,27,28,29)/b6-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.191n/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)
BDBM223093
PNG
((E)-2-((6-(4-(but-2-enoyl)piperazin-1-yl)-2-methyl...)
Show SMILES C\C=C\C(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C24H26ClN7O2S/c1-4-6-21(33)32-11-9-31(10-12-32)20-13-19(27-16(3)28-20)29-24-26-14-18(35-24)23(34)30-22-15(2)7-5-8-17(22)25/h4-8,13-14H,9-12H2,1-3H3,(H,30,34)(H,26,27,28,29)/b6-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.34n/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