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BDBM50260032 CHEMBL4064078

SMILES: CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1

InChI Key: InChIKey=ADPNSUYZISECKN-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 = 50260032   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50260032
PNG
(CHEMBL4064078)
Show SMILES CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1
Show InChI InChI=1S/C29H36N6O/c1-4-22-11-23(18-34-9-7-33(3)8-10-34)13-26(12-22)32-29(36)24-5-6-28-21(2)17-35(19-25(28)14-24)27-15-30-20-31-16-27/h5-6,11-16,20-21H,4,7-10,17-19H2,1-3H3,(H,32,36)
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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50260032
PNG
(CHEMBL4064078)
Show SMILES CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1
Show InChI InChI=1S/C29H36N6O/c1-4-22-11-23(18-34-9-7-33(3)8-10-34)13-26(12-22)32-29(36)24-5-6-28-21(2)17-35(19-25(28)14-24)27-15-30-20-31-16-27/h5-6,11-16,20-21H,4,7-10,17-19H2,1-3H3,(H,32,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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 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))
BDBM50260032
PNG
(CHEMBL4064078)
Show SMILES CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1
Show InChI InChI=1S/C29H36N6O/c1-4-22-11-23(18-34-9-7-33(3)8-10-34)13-26(12-22)32-29(36)24-5-6-28-21(2)17-35(19-25(28)14-24)27-15-30-20-31-16-27/h5-6,11-16,20-21H,4,7-10,17-19H2,1-3H3,(H,32,36)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/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
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50260032
PNG
(CHEMBL4064078)
Show SMILES CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1
Show InChI InChI=1S/C29H36N6O/c1-4-22-11-23(18-34-9-7-33(3)8-10-34)13-26(12-22)32-29(36)24-5-6-28-21(2)17-35(19-25(28)14-24)27-15-30-20-31-16-27/h5-6,11-16,20-21H,4,7-10,17-19H2,1-3H3,(H,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+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