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BDBM43841 (E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]prop-2-enoic acid::(E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-4-thiazolyl]-2-propenoic acid::(E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]thiazol-4-yl]acrylic acid::(E)-3-[2-[ethanoyl-[3-(trifluoromethyl)phenyl]amino]-1,3-thiazol-4-yl]prop-2-enoic acid::Acid, 23::MLS000773851::SMR000364678::cid_2513489

SMILES: CC(=O)N(c1nc(\C=C\C(O)=O)cs1)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=XMCXTGRBAIZQCC-AATRIKPKSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 43841   
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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM43841
PNG
((E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3...)
Show SMILES CC(=O)N(c1nc(\C=C\C(O)=O)cs1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3S/c1-9(21)20(12-4-2-3-10(7-12)15(16,17)18)14-19-11(8-24-14)5-6-13(22)23/h2-8H,1H3,(H,22,23)/b6-5+
PDB
MMDB

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PC cid
PC sid
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Similars

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



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QN6558
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43841
PNG
((E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3...)
Show SMILES CC(=O)N(c1nc(\C=C\C(O)=O)cs1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3S/c1-9(21)20(12-4-2-3-10(7-12)15(16,17)18)14-19-11(8-24-14)5-6-13(22)23/h2-8H,1H3,(H,22,23)/b6-5+
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>50n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Chem Biol 9: 891-6 (2002)


Article DOI: 10.1016/S1074-5521(02)00184-9
BindingDB Entry DOI: 10.7270/Q2GM85QP
More data for this
Ligand-Target Pair