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BDBM89949 3,3,3-trifluoro-2-[(5-nosylthiazol-2-yl)amino]-2-(p-anisoylamino)propionic acid methyl ester::3,3,3-trifluoro-2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]propanoic acid methyl ester::MLS000325345::SMR000163417::cid_5103080::methyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propanoate::methyl 3,3,3-trifluoro-2-{[5-({4-nitrophenyl}sulfonyl)-1,3-thiazol-2-yl]amino}-2-[(4-methoxybenzoyl)amino]propanoate::methyl 3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propanoate

SMILES: COC(=O)C(NC(=O)c1ccc(OC)cc1)(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(F)(F)F

InChI Key: InChIKey=KQABVSUVPWFPQN-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 89949   
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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM89949
PNG
(3,3,3-trifluoro-2-[(5-nosylthiazol-2-yl)amino]-2-(...)
Show SMILES COC(=O)C(NC(=O)c1ccc(OC)cc1)(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O8S2/c1-35-14-7-3-12(4-8-14)17(29)26-20(18(30)36-2,21(22,23)24)27-19-25-11-16(37-19)38(33,34)15-9-5-13(6-10-15)28(31)32/h3-11H,1-2H3,(H,25,27)(H,26,29)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM89949
PNG
(3,3,3-trifluoro-2-[(5-nosylthiazol-2-yl)amino]-2-(...)
Show SMILES COC(=O)C(NC(=O)c1ccc(OC)cc1)(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O8S2/c1-35-14-7-3-12(4-8-14)17(29)26-20(18(30)36-2,21(22,23)24)27-19-25-11-16(37-19)38(33,34)15-9-5-13(6-10-15)28(31)32/h3-11H,1-2H3,(H,25,27)(H,26,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.30E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair