BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'tacheva-grigorova' and Initial = 'sk'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50011478
PNG
(ITRAZOLE)
Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O
Show InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins by LC/MS/MS analysis


J Med Chem 59: 3635-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01718
BindingDB Entry DOI: 10.7270/Q2FX7CC3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50172714
PNG
(CHEMBL3809786)
Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(C)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O
Show InChI InChI=1S/C33H37Cl2N5O4/c1-4-23(2)40-32(41)39(22-36-40)27-8-6-25(7-9-27)37-15-17-38(18-16-37)26-10-12-28(13-11-26)42-20-29-21-43-33(3,44-29)30-14-5-24(34)19-31(30)35/h5-14,19,22-23,29H,4,15-18,20-21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins by LC/MS/MS analysis


J Med Chem 59: 3635-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01718
BindingDB Entry DOI: 10.7270/Q2FX7CC3
More data for this
Ligand-Target Pair