BindingDB logo
myBDB logout

BDBM50176907 CHEMBL3814729

SMILES: NCCCCCC(=O)NCc1cccnc1

InChI Key: InChIKey=KFGLLHQUUUINTC-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50176907   
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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50176907
PNG
(CHEMBL3814729)
Show SMILES NCCCCCC(=O)NCc1cccnc1
Show InChI InChI=1S/C12H19N3O/c13-7-3-1-2-6-12(16)15-10-11-5-4-8-14-9-11/h4-5,8-9H,1-3,6-7,10,13H2,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



University of California-Irvine

Curated by ChEMBL


Assay Description
Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...


J Med Chem 59: 4210-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01146
BindingDB Entry DOI: 10.7270/Q2Q52RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50176907
PNG
(CHEMBL3814729)
Show SMILES NCCCCCC(=O)NCc1cccnc1
Show InChI InChI=1S/C12H19N3O/c13-7-3-1-2-6-12(16)15-10-11-5-4-8-14-9-11/h4-5,8-9H,1-3,6-7,10,13H2,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



University of California-Irvine

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...


J Med Chem 59: 4210-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01146
BindingDB Entry DOI: 10.7270/Q2Q52RKB
More data for this
Ligand-Target Pair