BindingDB logo
myBDB logout

BDBM50238298 CHEMBL4074755

SMILES: CCCCCCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12

InChI Key: InChIKey=JYSCRDCBJSBWKB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50238298   
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))
BDBM50238298
PNG
(CHEMBL4074755)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
Show InChI InChI=1S/C20H25N5O/c1-3-4-5-6-12-22-20(26)23-16-9-7-15(8-10-16)17-11-13-21-19-18(17)14(2)24-25-19/h7-11,13H,3-6,12H2,1-2H3,(H,21,24,25)(H2,22,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 60: 5099-5119 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00468
BindingDB Entry DOI: 10.7270/Q2JS9SPD
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50238298
PNG
(CHEMBL4074755)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
Show InChI InChI=1S/C20H25N5O/c1-3-4-5-6-12-22-20(26)23-16-9-7-15(8-10-16)17-11-13-21-19-18(17)14(2)24-25-19/h7-11,13H,3-6,12H2,1-2H3,(H,21,24,25)(H2,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence ...


J Med Chem 60: 5099-5119 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00468
BindingDB Entry DOI: 10.7270/Q2JS9SPD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50238298
PNG
(CHEMBL4074755)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
Show InChI InChI=1S/C20H25N5O/c1-3-4-5-6-12-22-20(26)23-16-9-7-15(8-10-16)17-11-13-21-19-18(17)14(2)24-25-19/h7-11,13H,3-6,12H2,1-2H3,(H,21,24,25)(H2,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of A...


J Med Chem 60: 5099-5119 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00468
BindingDB Entry DOI: 10.7270/Q2JS9SPD
More data for this
Ligand-Target Pair