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SMILES: CC(C)(C)NC(=O)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O

InChI Key: InChIKey=WVDGEVCIHZGGCG-UHFFFAOYSA-N

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 = 94591   
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
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM94591
PNG
(MLS003674222 | N-tert-butyl-2-(4-cyanophenyl)-2-[3...)
Show SMILES CC(C)(C)NC(=O)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H22N4O3/c1-25(2,3)28-23(30)22(17-12-10-16(15-26)11-13-17)29-19-8-5-4-7-18(19)27-21(24(29)31)20-9-6-14-32-20/h4-14,22H,1-3H3,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 1.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair
Perilipin-5


(Homo sapiens (Human))
BDBM94591
PNG
(MLS003674222 | N-tert-butyl-2-(4-cyanophenyl)-2-[3...)
Show SMILES CC(C)(C)NC(=O)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H22N4O3/c1-25(2,3)28-23(30)22(17-12-10-16(15-26)11-13-17)29-19-8-5-4-7-18(19)27-21(24(29)31)20-9-6-14-32-20/h4-14,22H,1-3H3,(H,28,30)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
Perilipin-1


(Homo sapiens (Human))
BDBM94591
PNG
(MLS003674222 | N-tert-butyl-2-(4-cyanophenyl)-2-[3...)
Show SMILES CC(C)(C)NC(=O)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H22N4O3/c1-25(2,3)28-23(30)22(17-12-10-16(15-26)11-13-17)29-19-8-5-4-7-18(19)27-21(24(29)31)20-9-6-14-32-20/h4-14,22H,1-3H3,(H,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair