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BDBM163698 5-((2-Methyl-5-((3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)nicotinamide (3)

SMILES: CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cncc(c3)C(N)=O)c2)cc(c1)C(F)(F)F

InChI Key: InChIKey=UYMHKSOBTXSBFR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 163698   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM163698
PNG
(5-((2-Methyl-5-((3-(4-methylpiperazin-1-yl)-5-(tri...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cncc(c3)C(N)=O)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N6O2/c1-16-3-4-17(10-23(16)32-21-9-18(24(30)36)14-31-15-21)25(37)33-20-11-19(26(27,28)29)12-22(13-20)35-7-5-34(2)6-8-35/h3-4,9-15,32H,5-8H2,1-2H3,(H2,30,36)(H,33,37)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute Inc



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
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM163698
PNG
(5-((2-Methyl-5-((3-(4-methylpiperazin-1-yl)-5-(tri...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cncc(c3)C(N)=O)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N6O2/c1-16-3-4-17(10-23(16)32-21-9-18(24(30)36)14-31-15-21)25(37)33-20-11-19(26(27,28)29)12-22(13-20)35-7-5-34(2)6-8-35/h3-4,9-15,32H,5-8H2,1-2H3,(H2,30,36)(H,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Dana-Farber Cancer Institute Inc



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