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BDBM223088 Benzyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)-piperazine-1-carboxylate (3h)

InChI string: InChI=1S/C28H28ClN7O3S/c1-18-7-6-10-21(29)25(18)34-26(37)22-16-30-27(40-22)33-23-15-24(32-19(2)31-23)35-11-13-36(14-12-35)28(38)39-17-20-8-4-3-5-9-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,34,37)(H,30,31,32,33)

SMILES: Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCc1ccccc1

InChI Key: InChIKey=CAWFLWKFZFPVQV-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 = 223088   
Target
(Institution)
LigandTarget
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)
BDBM223088
PNG
(Benzyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H28ClN7O3S/c1-18-7-6-10-21(29)25(18)34-26(37)22-16-30-27(40-22)33-23-15-24(32-19(2)31-23)35-11-13-36(14-12-35)28(38)39-17-20-8-4-3-5-9-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,34,37)(H,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 22.6n/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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM223088
PNG
(Benzyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H28ClN7O3S/c1-18-7-6-10-21(29)25(18)34-26(37)22-16-30-27(40-22)33-23-15-24(32-19(2)31-23)35-11-13-36(14-12-35)28(38)39-17-20-8-4-3-5-9-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,34,37)(H,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.617n/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)
BDBM223088
PNG
(Benzyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H28ClN7O3S/c1-18-7-6-10-21(29)25(18)34-26(37)22-16-30-27(40-22)33-23-15-24(32-19(2)31-23)35-11-13-36(14-12-35)28(38)39-17-20-8-4-3-5-9-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,34,37)(H,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 133n/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