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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Discoidin domain-containing receptor 2' and Ligand = 'BDBM50297825'   
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
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50297825
PNG
(5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)...)
Show SMILES Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 178 binding to recombinant human GST-tagged DDR2 (427-855 residues) expressed in baculovirus expression system incubated ...


ACS Med Chem Lett 11: 29-33 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00382
BindingDB Entry DOI: 10.7270/Q2NP27QG
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50297825
PNG
(5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)...)
Show SMILES Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.


ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair