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BDBM50192999 CHEMBL3932777

SMILES: Cn1c(NCCc2ccc(cc2)-c2ccccc2)nc2cc(Cl)ccc2c1=O

InChI Key: InChIKey=DPVUFBRPHUSAMJ-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 = 50192999   
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))
BDBM50192999
PNG
(CHEMBL3932777)
Show SMILES Cn1c(NCCc2ccc(cc2)-c2ccccc2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C23H20ClN3O/c1-27-22(28)20-12-11-19(24)15-21(20)26-23(27)25-14-13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,25,26)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 6-beta-hydroxytestosterone metabolite formation using testosterone as substrate incubated ...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192999
PNG
(CHEMBL3932777)
Show SMILES Cn1c(NCCc2ccc(cc2)-c2ccccc2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C23H20ClN3O/c1-27-22(28)20-12-11-19(24)15-21(20)26-23(27)25-14-13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Sanofi R & D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...


Bioorg Med Chem Lett 26: 5290-5299 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.043
BindingDB Entry DOI: 10.7270/Q2H70HS6
More data for this
Ligand-Target Pair