BindingDB logo
myBDB logout

BDBM50240204 CHEMBL4081527

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cncnc4)c3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=XLUQUKJVLXWCSN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50240204   
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))
BDBM50240204
PNG
(CHEMBL4081527)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cncnc4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H31F3N6O2/c1-21-6-7-24(15-29(21)39-31(43)23-5-3-4-22(14-23)26-17-36-20-37-18-26)30(42)38-27-9-8-25(28(16-27)32(33,34)35)19-41-12-10-40(2)11-13-41/h3-9,14-18,20H,10-13,19H2,1-2H3,(H,38,42)(H,39,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM50240204
PNG
(CHEMBL4081527)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cncnc4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H31F3N6O2/c1-21-6-7-24(15-29(21)39-31(43)23-5-3-4-22(14-23)26-17-36-20-37-18-26)30(42)38-27-9-8-25(28(16-27)32(33,34)35)19-41-12-10-40(2)11-13-41/h3-9,14-18,20H,10-13,19H2,1-2H3,(H,38,42)(H,39,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair