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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 223081   
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))
BDBM223081
PNG
(Methyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C22H24ClN7O3S/c1-13-5-4-6-15(23)19(13)28-20(31)16-12-24-21(34-16)27-17-11-18(26-14(2)25-17)29-7-9-30(10-8-29)22(32)33-3/h4-6,11-12H,7-10H2,1-3H3,(H,28,31)(H,24,25,26,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.152n/an/an/an/a7.525



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)


Article DOI: 10.1111/cbdd.12863
BindingDB Entry DOI: 10.7270/Q29C6W98
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM223081
PNG
(Methyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C22H24ClN7O3S/c1-13-5-4-6-15(23)19(13)28-20(31)16-12-24-21(34-16)27-17-11-18(26-14(2)25-17)29-7-9-30(10-8-29)22(32)33-3/h4-6,11-12H,7-10H2,1-3H3,(H,28,31)(H,24,25,26,27)
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B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.32n/an/an/an/a7.525



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)


Article DOI: 10.1111/cbdd.12863
BindingDB Entry DOI: 10.7270/Q29C6W98
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM223081
PNG
(Methyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C22H24ClN7O3S/c1-13-5-4-6-15(23)19(13)28-20(31)16-12-24-21(34-16)27-17-11-18(26-14(2)25-17)29-7-9-30(10-8-29)22(32)33-3/h4-6,11-12H,7-10H2,1-3H3,(H,28,31)(H,24,25,26,27)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.76n/an/an/an/a7.525



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)


Article DOI: 10.1111/cbdd.12863
BindingDB Entry DOI: 10.7270/Q29C6W98
More data for this
Ligand-Target Pair