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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 607.6
BDBM163701
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM163701
PNG
(N-[5-({4-[(4-ethylpiperazin-1-yl)methyl]-3-(triflu...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-9-26(17-27(23)32(33,34)35)37-30(41)22-7-6-21(2)28(16-22)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/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
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM163701
PNG
(N-[5-({4-[(4-ethylpiperazin-1-yl)methyl]-3-(triflu...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-9-26(17-27(23)32(33,34)35)37-30(41)22-7-6-21(2)28(16-22)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/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