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BDBM95491 2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide::2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-thiophene-3-carboxamide::4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenyl-thiophene-3-carboxamide::4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide::4,5-dimethyl-2-[(2-methyl-1-oxopropyl)amino]-N-phenyl-3-thiophenecarboxamide::MLS000579136::SMR000186724::cid_786590

SMILES: CC(C)C(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1

InChI Key: InChIKey=BBONRUMFZAZRGU-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95491   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95491
PNG
(2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thioph...)
Show SMILES CC(C)C(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H20N2O2S/c1-10(2)15(20)19-17-14(11(3)12(4)22-17)16(21)18-13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,21)(H,19,20)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.16E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair