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SMILES: CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCCC1)c1cncnc1

InChI Key: InChIKey=RFKIMRWCLPYQNL-UHFFFAOYSA-N

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 = 50260040   
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
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50260040
PNG
(CHEMBL4083149)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCCC1)c1cncnc1
Show InChI InChI=1S/C33H42N6O/c1-24-20-39(31-18-34-23-35-19-31)22-29-16-27(8-9-32(24)29)33(40)36-30-15-25(21-38-12-10-37(2)11-13-38)14-28(17-30)26-6-4-3-5-7-26/h8-9,14-19,23-24,26H,3-7,10-13,20-22H2,1-2H3,(H,36,40)
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PC sid
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Article
PubMed
n/an/a 123n/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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50260040
PNG
(CHEMBL4083149)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCCC1)c1cncnc1
Show InChI InChI=1S/C33H42N6O/c1-24-20-39(31-18-34-23-35-19-31)22-29-16-27(8-9-32(24)29)33(40)36-30-15-25(21-38-12-10-37(2)11-13-38)14-28(17-30)26-6-4-3-5-7-26/h8-9,14-19,23-24,26H,3-7,10-13,20-22H2,1-2H3,(H,36,40)
PDB
MMDB

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Patents


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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
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50260040
PNG
(CHEMBL4083149)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCCC1)c1cncnc1
Show InChI InChI=1S/C33H42N6O/c1-24-20-39(31-18-34-23-35-19-31)22-29-16-27(8-9-32(24)29)33(40)36-30-15-25(21-38-12-10-37(2)11-13-38)14-28(17-30)26-6-4-3-5-7-26/h8-9,14-19,23-24,26H,3-7,10-13,20-22H2,1-2H3,(H,36,40)
PDB
MMDB

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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 462n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50260040
PNG
(CHEMBL4083149)
Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCCC1)c1cncnc1
Show InChI InChI=1S/C33H42N6O/c1-24-20-39(31-18-34-23-35-19-31)22-29-16-27(8-9-32(24)29)33(40)36-30-15-25(21-38-12-10-37(2)11-13-38)14-28(17-30)26-6-4-3-5-7-26/h8-9,14-19,23-24,26H,3-7,10-13,20-22H2,1-2H3,(H,36,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


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