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BDBM50324675 2,2-diphenyl-N-(2,2,2-trichloro-1-(3-(4-fluoro-3-nitrophenyl)thioureido)ethyl)acetamide::CHEMBL1221601

SMILES: [O-][N+](=O)c1cc(NC(=S)NC(NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F

InChI Key: InChIKey=HLCDNLNLQNYZTK-UHFFFAOYNA-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 = 50324675   
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
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50324675
PNG
(2,2-diphenyl-N-(2,2,2-trichloro-1-(3-(4-fluoro-3-n...)
Show SMILES [O-][N+](=O)c1cc(NC(=S)NC(NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F
Show InChI InChI=1/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of Rad3-related (ATR) protein-mediated p53 phosphorylation


Nat Chem Biol 2: 369-74 (2006)


Article DOI: 10.1038/nchembio800
BindingDB Entry DOI: 10.7270/Q2Q52PTN
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50324675
PNG
(2,2-diphenyl-N-(2,2,2-trichloro-1-(3-(4-fluoro-3-n...)
Show SMILES [O-][N+](=O)c1cc(NC(=S)NC(NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F
Show InChI InChI=1/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ataxia telangiectasia-mutated


Nat Chem Biol 2: 369-74 (2006)


Article DOI: 10.1038/nchembio800
BindingDB Entry DOI: 10.7270/Q2Q52PTN
More data for this
Ligand-Target Pair