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BDBM50260039 CHEMBL4069922

SMILES: CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F)c1cncnc1

InChI Key: InChIKey=JETMDPCRAJXEPR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50260039   
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
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50260039
PNG
(CHEMBL4069922)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C27H28F3N5O/c1-18-14-35(24-12-31-17-32-13-24)16-21-10-20(4-5-25(18)21)26(36)33-23-9-19(15-34-6-2-3-7-34)8-22(11-23)27(28,29)30/h4-5,8-13,17-18H,2-3,6-7,14-16H2,1H3,(H,33,36)
PDB
MMDB

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Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...


ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50260039
PNG
(CHEMBL4069922)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C27H28F3N5O/c1-18-14-35(24-12-31-17-32-13-24)16-21-10-20(4-5-25(18)21)26(36)33-23-9-19(15-34-6-2-3-7-34)8-22(11-23)27(28,29)30/h4-5,8-13,17-18H,2-3,6-7,14-16H2,1H3,(H,33,36)
PDB
MMDB

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antibodypedia
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PC sid
UniChem

Similars

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



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged Bcr-Abl fusion protein cytoplasmic domain expressed in baculovirus expression system using tyr...


ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50260039
PNG
(CHEMBL4069922)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C27H28F3N5O/c1-18-14-35(24-12-31-17-32-13-24)16-21-10-20(4-5-25(18)21)26(36)33-23-9-19(15-34-6-2-3-7-34)8-22(11-23)27(28,29)30/h4-5,8-13,17-18H,2-3,6-7,14-16H2,1H3,(H,33,36)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 222n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...


ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50260039
PNG
(CHEMBL4069922)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F)c1cncnc1
Show InChI InChI=1S/C27H28F3N5O/c1-18-14-35(24-12-31-17-32-13-24)16-21-10-20(4-5-25(18)21)26(36)33-23-9-19(15-34-6-2-3-7-34)8-22(11-23)27(28,29)30/h4-5,8-13,17-18H,2-3,6-7,14-16H2,1H3,(H,33,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged c-kit cytoplasmic domain (544 to 976 residues) expressed in baculovirus expression system using Ser/Thr 6 ...


ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair