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BDBM43852 2-[4-(4-methylphenyl)-2-(2-pyridinyl)-5-thiazolyl]acetic acid::2-[4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]acetic acid::2-[4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]ethanoic acid::2-[4-(p-tolyl)-2-(2-pyridyl)thiazol-5-yl]acetic acid::AB-1::MLS000761246::SMR000369548::cid_2118147

SMILES: Cc1ccc(cc1)-c1nc(sc1CC(O)=O)-c1ccccn1

InChI Key: InChIKey=WFBZZYNOMFNULR-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 43852   
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
HIV-1 protease


(Human immunodeficiency virus)
BDBM43852
PNG
(2-[4-(4-methylphenyl)-2-(2-pyridinyl)-5-thiazolyl]...)
Show SMILES Cc1ccc(cc1)-c1nc(sc1CC(O)=O)-c1ccccn1
Show InChI InChI=1S/C17H14N2O2S/c1-11-5-7-12(8-6-11)16-14(10-15(20)21)22-17(19-16)13-4-2-3-9-18-13/h2-9H,10H2,1H3,(H,20,21)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
2 -12.3n/an/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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM43852
PNG
(2-[4-(4-methylphenyl)-2-(2-pyridinyl)-5-thiazolyl]...)
Show SMILES Cc1ccc(cc1)-c1nc(sc1CC(O)=O)-c1ccccn1
Show InChI InChI=1S/C17H14N2O2S/c1-11-5-7-12(8-6-11)16-14(10-15(20)21)22-17(19-16)13-4-2-3-9-18-13/h2-9H,10H2,1H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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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