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BDBM43844 1-benzyl-N-(2-fluorobenzyl)-3,5-dimethyl-pyrazole-4-carboxamide::1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide::Acid, 44::MLS000771716::N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide::N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide::SMR000376450::cid_2108293

SMILES: Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1F

InChI Key: InChIKey=HDZNCKLMVPZWDN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 43844   
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))
BDBM43844
PNG
(1-benzyl-N-(2-fluorobenzyl)-3,5-dimethyl-pyrazole-...)
Show SMILES Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1F
Show InChI InChI=1S/C20H20FN3O/c1-14-19(20(25)22-12-17-10-6-7-11-18(17)21)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)
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)
BDBM43844
PNG
(1-benzyl-N-(2-fluorobenzyl)-3,5-dimethyl-pyrazole-...)
Show SMILES Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1F
Show InChI InChI=1S/C20H20FN3O/c1-14-19(20(25)22-12-17-10-6-7-11-18(17)21)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6n/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